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 170.9
[M+Na]+ 334.08318 172.7
[M-H]- 310.08668 171.4
[M+NH4]+ 329.12778 183.1
[M+K]+ 350.05712 169.9
[M+H-H2O]+ 294.09122 162.7
[M+HCOO]- 356.09216 186.7
[M+CH3COO]- 370.10781 206.8
[M+Na-2H]- 332.06863 169.7
[M]+ 311.09341 169.8
[M]- 311.09451 169.8
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.