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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.