CID 3075670

Benzoic acid, 4-chloro-2-((2-methylphenyl)amino)-, 2-(aminothioxomethyl)hydrazide

Structural Information

Molecular Formula
C15H15ClN4OS
SMILES
CC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C15H15ClN4OS/c1-9-4-2-3-5-12(9)18-13-8-10(16)6-7-11(13)14(21)19-20-15(17)22/h2-8,18H,1H3,(H,19,21)(H3,17,20,22)
InChIKey
LUNRAASFJXXVRB-UHFFFAOYSA-N
Compound name
[[4-chloro-2-(2-methylanilino)benzoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06552 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07280 175.7
[M+Na]+ 357.05474 182.0
[M-H]- 333.05824 182.0
[M+NH4]+ 352.09934 189.4
[M+K]+ 373.02868 175.2
[M+H-H2O]+ 317.06278 168.5
[M+HCOO]- 379.06372 191.7
[M+CH3COO]- 393.07937 215.8
[M+Na-2H]- 355.04019 176.7
[M]+ 334.06497 175.5
[M]- 334.06607 175.5
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.