CID 5017954

Oprea1_052952

Structural Information

Molecular Formula
C15H14ClN3OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H14ClN3OS/c1-10(20)17-12-5-7-13(8-6-12)18-15(21)19-14-4-2-3-11(16)9-14/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKey
ZTYVECSYNJQCKI-UHFFFAOYSA-N
Compound name
N-[4-[(3-chlorophenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

319.0546 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06188 171.4
[M+Na]+ 342.04382 177.8
[M-H]- 318.04732 178.0
[M+NH4]+ 337.08842 186.1
[M+K]+ 358.01776 171.1
[M+H-H2O]+ 302.05186 164.4
[M+HCOO]- 364.05280 187.2
[M+CH3COO]- 378.06845 209.8
[M+Na-2H]- 340.02927 173.5
[M]+ 319.05405 172.5
[M]- 319.05515 172.5
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.