CID 692096

N-[(4-methoxyphenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O2S/c1-19-13-9-7-12(8-10-13)16-15(20)17-14(18)11-5-3-2-4-6-11/h2-10H,1H3,(H2,16,17,18,20)
InChIKey
HLHLMJSGJJRCRH-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

286.0776 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 164.6
[M+Na]+ 309.06682 170.2
[M-H]- 285.07032 171.1
[M+NH4]+ 304.11142 179.8
[M+K]+ 325.04076 165.7
[M+H-H2O]+ 269.07486 156.5
[M+HCOO]- 331.07580 184.2
[M+CH3COO]- 345.09145 201.9
[M+Na-2H]- 307.05227 167.4
[M]+ 286.07705 165.1
[M]- 286.07815 165.1
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