PubChemLite - Arg-trp (C17H24N6O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)/t12-,14-/m0/s1

InChIKey

QADCERNTBWTXFV-JSGCOSHPSA-N

Compound name

(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

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]+	361.19826	182.1
[M+Na]+	383.18020	183.3
[M-H]-	359.18370	182.4
[M+NH4]+	378.22480	192.4
[M+K]+	399.15414	181.1
[M+H-H2O]+	343.18824	173.1
[M+HCOO]-	405.18918	202.6
[M+CH3COO]-	419.20483	226.1
[M+Na-2H]-	381.16565	181.0
[M]+	360.19043	177.2
[M]-	360.19153	177.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

361.19826

182.1

[M+Na]+

383.18020

183.3

[M-H]-

359.18370

182.4

[M+NH4]+

378.22480

192.4

[M+K]+

399.15414

181.1

[M+H-H2O]+

343.18824

173.1

[M+HCOO]-

405.18918

202.6

[M+CH3COO]-

419.20483

226.1

[M+Na-2H]-

381.16565

181.0

[M]+

360.19043

177.2

[M]-

360.19153

177.2

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

Arg-trp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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