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 170.5
[M+Na]+ 343.03909 176.4
[M-H]- 319.04259 176.6
[M+NH4]+ 338.08369 184.5
[M+K]+ 359.01303 169.7
[M+H-H2O]+ 303.04713 163.3
[M+HCOO]- 365.04807 186.9
[M+CH3COO]- 379.06372 211.6
[M+Na-2H]- 341.02454 172.7
[M]+ 320.04932 169.6
[M]- 320.05042 169.6
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.