CID 14147690

(((4-methoxy(methyl)anilino)carbothioyl)thio)acetic acid

Structural Information

Molecular Formula
C11H13NO3S2
SMILES
CN(C1=CC=C(C=C1)OC)C(=S)SCC(=O)O
InChI
InChI=1S/C11H13NO3S2/c1-12(11(16)17-7-10(13)14)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
ILVURGJQNVXEHW-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)-methylcarbamothioyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0337 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04098 157.8
[M+Na]+ 294.02292 166.4
[M+NH4]+ 289.06752 164.9
[M+K]+ 309.99686 158.7
[M-H]- 270.02642 158.9
[M+Na-2H]- 292.00837 161.3
[M]+ 271.03315 160.0
[M]- 271.03425 160.0
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.