CID 680802

Mls000578023

Structural Information

Molecular Formula
C15H15N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3OS/c1-11(19)16-13-7-9-14(10-8-13)18-15(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20)
InChIKey
BHHCZUMCEGEZIU-UHFFFAOYSA-N
Compound name
N-[4-(phenylcarbamothioylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

57
Patents

285.0936 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10088 164.3
[M+Na]+ 308.08282 169.1
[M-H]- 284.08632 170.6
[M+NH4]+ 303.12742 179.2
[M+K]+ 324.05676 164.0
[M+H-H2O]+ 268.09086 156.0
[M+HCOO]- 330.09180 184.5
[M+CH3COO]- 344.10745 205.0
[M+Na-2H]- 306.06827 167.6
[M]+ 285.09305 162.7
[M]- 285.09415 162.7
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.