CID 262759

N-carbobenzyloxy-s-benzoyl-l-cysteine

Structural Information

Molecular Formula
C18H17NO5S
SMILES
C1=CC=C(C=C1)COC(=O)NC(CSC(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H17NO5S/c20-16(21)15(12-25-17(22)14-9-5-2-6-10-14)19-18(23)24-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,23)(H,20,21)
InChIKey
SGXFVAMPPOGQON-UHFFFAOYSA-N
Compound name
3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

359.08273 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09001 183.3
[M+Na]+ 382.07195 185.9
[M-H]- 358.07545 187.5
[M+NH4]+ 377.11655 194.1
[M+K]+ 398.04589 182.6
[M+H-H2O]+ 342.07999 174.8
[M+HCOO]- 404.08093 198.2
[M+CH3COO]- 418.09658 209.6
[M+Na-2H]- 380.05740 182.6
[M]+ 359.08218 185.6
[M]- 359.08328 185.6
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.