CID 15954746

Schembl6816211

Structural Information

Molecular Formula
C22H20ClN3OS
SMILES
CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Cl
InChI
InChI=1S/C22H20ClN3OS/c1-14-5-3-4-6-19(14)21(27)24-16-9-11-17(12-10-16)25-22(28)26-18-8-7-15(2)20(23)13-18/h3-13H,1-2H3,(H,24,27)(H2,25,26,28)
InChIKey
OVEZYAVCJYOATK-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

409.10156 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.10884 196.9
[M+Na]+ 432.09078 203.3
[M-H]- 408.09428 206.5
[M+NH4]+ 427.13538 208.0
[M+K]+ 448.06472 195.1
[M+H-H2O]+ 392.09882 188.4
[M+HCOO]- 454.09976 211.8
[M+CH3COO]- 468.11541 228.9
[M+Na-2H]- 430.07623 197.1
[M]+ 409.10101 199.0
[M]- 409.10211 199.0
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

patents stripe