CID 25246415

S-(phenylacetothiohydroximoyl)-l-cysteine

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
C1=CC=C(C=C1)C/C(=N/O)/SC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H14N2O3S/c12-9(11(14)15)7-17-10(13-16)6-8-4-2-1-3-5-8/h1-5,9,16H,6-7,12H2,(H,14,15)/b13-10-/t9-/m0/s1
InChIKey
DPHQZNQYOOCWSR-FWSONLODSA-N
Compound name
(2R)-2-amino-3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 156.9
[M+Na]+ 277.06173 160.7
[M-H]- 253.06523 157.9
[M+NH4]+ 272.10633 172.1
[M+K]+ 293.03567 157.6
[M+H-H2O]+ 237.06977 149.7
[M+HCOO]- 299.07071 173.1
[M+CH3COO]- 313.08636 193.7
[M+Na-2H]- 275.04718 156.9
[M]+ 254.07196 155.9
[M]- 254.07306 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.