CID 61121770

N-[carbamothioyl(phenyl)methyl]benzamide

Structural Information

Molecular Formula
C15H14N2OS
SMILES
C1=CC=C(C=C1)C(C(=S)N)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2OS/c16-14(19)13(11-7-3-1-4-8-11)17-15(18)12-9-5-2-6-10-12/h1-10,13H,(H2,16,19)(H,17,18)
InChIKey
IFZHNJJPBSKUJB-UHFFFAOYSA-N
Compound name
N-(2-amino-1-phenyl-2-sulfanylideneethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08267 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 161.4
[M+Na]+ 293.07189 165.8
[M-H]- 269.07539 167.1
[M+NH4]+ 288.11649 176.5
[M+K]+ 309.04583 161.0
[M+H-H2O]+ 253.07993 153.6
[M+HCOO]- 315.08087 179.1
[M+CH3COO]- 329.09652 200.3
[M+Na-2H]- 291.05734 162.7
[M]+ 270.08212 158.8
[M]- 270.08322 158.8
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.