CID 458784

Cysteine, n-sulfanilyl-

Structural Information

Molecular Formula
C9H12N2O4S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC(CS)C(=O)O
InChI
InChI=1S/C9H12N2O4S2/c10-6-1-3-7(4-2-6)17(14,15)11-8(5-16)9(12)13/h1-4,8,11,16H,5,10H2,(H,12,13)
InChIKey
FRJIYWRQXUBCOU-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)sulfonylamino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.02383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03111 157.0
[M+Na]+ 299.01305 162.3
[M-H]- 275.01655 157.8
[M+NH4]+ 294.05765 171.2
[M+K]+ 314.98699 157.6
[M+H-H2O]+ 259.02109 150.2
[M+HCOO]- 321.02203 167.5
[M+CH3COO]- 335.03768 195.8
[M+Na-2H]- 296.99850 158.1
[M]+ 276.02328 157.1
[M]- 276.02438 157.1
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.