CID 3853457

2-amino-5-benzylthiophene-3-carboxamide

Structural Information

Molecular Formula
C12H12N2OS
SMILES
C1=CC=C(C=C1)CC2=CC(=C(S2)N)C(=O)N
InChI
InChI=1S/C12H12N2OS/c13-11(15)10-7-9(16-12(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2,(H2,13,15)
InChIKey
MLMZWPGWTMIMON-UHFFFAOYSA-N
Compound name
2-amino-5-benzylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

232.06703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 150.6
[M+Na]+ 255.056248 158.5
[M-H]- 231.059754 157.0
[M+NH4]+ 250.100853 169.8
[M+K]+ 271.030188 153.8
[M+H-H2O]+ 215.064290 143.9
[M+HCOO]- 277.065231 171.3
[M+CH3COO]- 291.080881 192.6
[M+Na-2H]- 253.041696 150.7
[M]+ 232.06648142 149.6
[M]- 232.06757858 149.6
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