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 156.2
[M+Na]+ 277.06173 163.2
[M+NH4]+ 272.10633 162.1
[M+K]+ 293.03567 157.9
[M-H]- 253.06523 156.6
[M+Na-2H]- 275.04718 159.4
[M]+ 254.07196 157.2
[M]- 254.07306 157.2
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.