CID 3075677

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

Structural Information

Molecular Formula
C16H17ClN4O2S
SMILES
CCOC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C16H17ClN4O2S/c1-2-23-12-6-4-11(5-7-12)19-14-9-10(17)3-8-13(14)15(22)20-21-16(18)24/h3-9,19H,2H2,1H3,(H,20,22)(H3,18,21,24)
InChIKey
MJRUSAOLRJYSTR-UHFFFAOYSA-N
Compound name
[[4-chloro-2-(4-ethoxyanilino)benzoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08336 183.3
[M+Na]+ 387.06530 192.9
[M+NH4]+ 382.10990 189.8
[M+K]+ 403.03924 184.8
[M-H]- 363.06880 188.2
[M+Na-2H]- 385.05075 189.7
[M]+ 364.07553 186.4
[M]- 364.07663 186.4
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.