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

literature stripe

Patent stripe

patents stripe