CID 3903540

2-chloro-n-[(4-nitrophenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C14H10ClN3O3S
SMILES
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H10ClN3O3S/c15-12-4-2-1-3-11(12)13(19)17-14(22)16-9-5-7-10(8-6-9)18(20)21/h1-8H,(H2,16,17,19,22)
InChIKey
NQFXRQOJKSOWEZ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-nitrophenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.01315 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.02043 169.1
[M+Na]+ 358.00237 181.6
[M+NH4]+ 353.04697 176.5
[M+K]+ 373.97631 175.9
[M-H]- 334.00587 174.8
[M+Na-2H]- 355.98782 176.8
[M]+ 335.01260 172.9
[M]- 335.01370 172.9
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