CID 25490831

N-(4-carbamothioylphenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C12H10N2OS2
SMILES
C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=S)N
InChI
InChI=1S/C12H10N2OS2/c13-11(16)8-3-5-9(6-4-8)14-12(15)10-2-1-7-17-10/h1-7H,(H2,13,16)(H,14,15)
InChIKey
BJQFGXMVRCNVEQ-UHFFFAOYSA-N
Compound name
N-(4-carbamothioylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.02347 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03075 157.0
[M+Na]+ 285.01269 164.3
[M-H]- 261.01619 163.2
[M+NH4]+ 280.05729 175.0
[M+K]+ 300.98663 158.4
[M+H-H2O]+ 245.02073 150.4
[M+HCOO]- 307.02167 171.6
[M+CH3COO]- 321.03732 196.0
[M+Na-2H]- 282.99814 156.2
[M]+ 262.02292 156.2
[M]- 262.02402 156.2
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.