PubChemLite - L-argininamide, l-arginyl-n~1~-[(1s)-1-(1-naphthalenyl)ethyl]- (C24H37N9O2)

Structural Information

Molecular Formula

SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C24H37N9O2/c1-15(17-10-4-8-16-7-2-3-9-18(16)17)32-22(35)20(12-6-14-31-24(28)29)33-21(34)19(25)11-5-13-30-23(26)27/h2-4,7-10,15,19-20H,5-6,11-14,25H2,1H3,(H,32,35)(H,33,34)(H4,26,27,30)(H4,28,29,31)/t15-,19-,20-/m0/s1

InChIKey

SFYDNFJHIIABFE-YSSFQJQWSA-N

Compound name

(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]pentanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	484.31428	213.6
[M+Na]+	506.29622	209.7
[M-H]-	482.29972	216.4
[M+NH4]+	501.34082	218.6
[M+K]+	522.27016	210.5
[M+H-H2O]+	466.30426	202.7
[M+HCOO]-	528.30520	235.8
[M+CH3COO]-	542.32085	268.9
[M+Na-2H]-	504.28167	209.6
[M]+	483.30645	206.2
[M]-	483.30755	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.31428

213.6

[M+Na]+

506.29622

209.7

[M-H]-

482.29972

216.4

[M+NH4]+

501.34082

218.6

[M+K]+

522.27016

210.5

[M+H-H2O]+

466.30426

202.7

[M+HCOO]-

528.30520

235.8

[M+CH3COO]-

542.32085

268.9

[M+Na-2H]-

504.28167

209.6

[M]+

483.30645

206.2

[M]-

483.30755

206.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

L-argininamide, l-arginyl-n~1~-[(1s)-1-(1-naphthalenyl)ethyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe