CID 2787704

6281-61-4

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKey
KZULWIHHNWYETK-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15
Patents

270.08267 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 161.2
[M+Na]+ 293.07189 167.0
[M-H]- 269.07539 167.8
[M+NH4]+ 288.11649 177.2
[M+K]+ 309.04583 161.9
[M+H-H2O]+ 253.07993 153.4
[M+HCOO]- 315.08087 180.6
[M+CH3COO]- 329.09652 199.8
[M+Na-2H]- 291.05734 163.8
[M]+ 270.08212 160.3
[M]- 270.08322 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe