CID 15954812

Schembl6814385

Structural Information

Molecular Formula
C16H16ClN3OS
SMILES
CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C16H16ClN3OS/c1-10-3-4-14(9-15(10)17)20-16(22)19-13-7-5-12(6-8-13)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H2,19,20,22)
InChIKey
PNAZJOJGELIJIO-UHFFFAOYSA-N
Compound name
N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

333.07025 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07753 176.2
[M+Na]+ 356.05947 182.9
[M-H]- 332.06297 183.0
[M+NH4]+ 351.10407 190.6
[M+K]+ 372.03341 176.2
[M+H-H2O]+ 316.06751 169.1
[M+HCOO]- 378.06845 191.6
[M+CH3COO]- 392.08410 214.0
[M+Na-2H]- 354.04492 177.0
[M]+ 333.06970 178.0
[M]- 333.07080 178.0
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

patents stripe