CID 3075669

195370-32-2

Structural Information

Molecular Formula
C14H13ClN4OS
SMILES
C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C14H13ClN4OS/c15-9-6-7-11(13(20)18-19-14(16)21)12(8-9)17-10-4-2-1-3-5-10/h1-8,17H,(H,18,20)(H3,16,19,21)
InChIKey
WNQZISUXLKAYQL-UHFFFAOYSA-N
Compound name
[(2-anilino-4-chlorobenzoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.04987 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05715 171.1
[M+Na]+ 343.03909 181.3
[M+NH4]+ 338.08369 178.5
[M+K]+ 359.01303 172.9
[M-H]- 319.04259 176.6
[M+Na-2H]- 341.02454 178.6
[M]+ 320.04932 174.5
[M]- 320.05042 174.5
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.