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 176.1
[M+Na]+ 357.05474 186.5
[M+NH4]+ 352.09934 183.4
[M+K]+ 373.02868 178.1
[M-H]- 333.05824 181.7
[M+Na-2H]- 355.04019 183.2
[M]+ 334.06497 179.6
[M]- 334.06607 179.6
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.