PubChemLite - Ethylargininoate acetamidomethionamide (C15H29N5O4S)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C15H29N5O4S/c1-4-24-14(23)12(6-5-8-18-15(16)17)20-13(22)11(7-9-25-3)19-10(2)21/h11-12H,4-9H2,1-3H3,(H,19,21)(H,20,22)(H4,16,17,18)/t11-,12-/m0/s1

InChIKey

XOUOKAFQPWVXEV-RYUDHWBXSA-N

Compound name

ethyl (2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoate

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]+	376.20131	192.0
[M+Na]+	398.18325	190.4
[M-H]-	374.18675	190.5
[M+NH4]+	393.22785	202.0
[M+K]+	414.15719	190.0
[M+H-H2O]+	358.19129	182.4
[M+HCOO]-	420.19223	207.6
[M+CH3COO]-	434.20788	232.1
[M+Na-2H]-	396.16870	185.6
[M]+	375.19348	192.7
[M]-	375.19458	192.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

376.20131

192.0

[M+Na]+

398.18325

190.4

[M-H]-

374.18675

190.5

[M+NH4]+

393.22785

202.0

[M+K]+

414.15719

190.0

[M+H-H2O]+

358.19129

182.4

[M+HCOO]-

420.19223

207.6

[M+CH3COO]-

434.20788

232.1

[M+Na-2H]-

396.16870

185.6

[M]+

375.19348

192.7

[M]-

375.19458

192.7

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

Ethylargininoate acetamidomethionamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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