CID 3075673

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

Structural Information

Molecular Formula
C15H15ClN4O2S
SMILES
COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C15H15ClN4O2S/c1-22-13-5-3-2-4-11(13)18-12-8-9(16)6-7-10(12)14(21)19-20-15(17)23/h2-8,18H,1H3,(H,19,21)(H3,17,20,23)
InChIKey
FEQAJVUFYNTOMB-UHFFFAOYSA-N
Compound name
[[4-chloro-2-(2-methoxyanilino)benzoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.06042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06770 178.9
[M+Na]+ 373.04964 188.8
[M+NH4]+ 368.09424 185.6
[M+K]+ 389.02358 180.9
[M-H]- 349.05314 183.9
[M+Na-2H]- 371.03509 185.6
[M]+ 350.05987 182.1
[M]- 350.06097 182.1
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.