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]+ 263.030746 157.0
[M+Na]+ 285.012688 164.3
[M-H]- 261.016194 163.2
[M+NH4]+ 280.057293 175.0
[M+K]+ 300.986628 158.4
[M+H-H2O]+ 245.020730 150.4
[M+HCOO]- 307.021671 171.6
[M+CH3COO]- 321.037321 196.0
[M+Na-2H]- 282.998136 156.2
[M]+ 262.02292142 156.2
[M]- 262.02401858 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.