CID 25246411

N-[(s-(z)-phenylacetohydroximoyl)-l-cysteinyl]glycine

Structural Information

Molecular Formula
C13H17N3O4S
SMILES
C1=CC=C(C=C1)C/C(=N/O)/SC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C13H17N3O4S/c14-10(13(19)15-7-12(17)18)8-21-11(16-20)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8,14H2,(H,15,19)(H,17,18)/b16-11-/t10-/m0/s1
InChIKey
FRNQPMDCZLCKPZ-WSJCWXPMSA-N
Compound name
2-[[(2R)-2-amino-3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

311.09396 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10124 170.2
[M+Na]+ 334.08318 174.5
[M+NH4]+ 329.12778 174.1
[M+K]+ 350.05712 170.7
[M-H]- 310.08668 169.6
[M+Na-2H]- 332.06863 171.8
[M]+ 311.09341 170.3
[M]- 311.09451 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.