PubChemLite - 24387-24-4 (C18H24N6O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C18H24N6O2/c19-11-16(25)24-15(6-3-9-22-18(20)21)17(26)23-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,19H2,(H,23,26)(H,24,25)(H4,20,21,22)/t15-/m0/s1

InChIKey

CINAWZLZLRIIIU-HNNXBMFYSA-N

Compound name

(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide

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]+	357.20336	181.6
[M+Na]+	379.18530	182.4
[M-H]-	355.18880	184.8
[M+NH4]+	374.22990	192.7
[M+K]+	395.15924	180.5
[M+H-H2O]+	339.19334	172.2
[M+HCOO]-	401.19428	205.6
[M+CH3COO]-	415.20993	232.6
[M+Na-2H]-	377.17075	183.2
[M]+	356.19553	176.6
[M]-	356.19663	176.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.20336

181.6

[M+Na]+

379.18530

182.4

[M-H]-

355.18880

184.8

[M+NH4]+

374.22990

192.7

[M+K]+

395.15924

180.5

[M+H-H2O]+

339.19334

172.2

[M+HCOO]-

401.19428

205.6

[M+CH3COO]-

415.20993

232.6

[M+Na-2H]-

377.17075

183.2

[M]+

356.19553

176.6

[M]-

356.19663

176.6

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

24387-24-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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