CID 693365

4949-88-6

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2OS/c1-11-7-5-6-10-13(11)16-15(19)17-14(18)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17,18,19)
InChIKey
LTGMLAWCHYYTCQ-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.08267 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.089946 161.2
[M+Na]+ 293.071888 167.0
[M-H]- 269.075394 167.8
[M+NH4]+ 288.116493 177.2
[M+K]+ 309.045828 161.9
[M+H-H2O]+ 253.079930 153.4
[M+HCOO]- 315.080871 180.6
[M+CH3COO]- 329.096521 199.8
[M+Na-2H]- 291.057336 163.8
[M]+ 270.08212142 160.3
[M]- 270.08321858 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