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]+ 233.07431 150.6
[M+Na]+ 255.05625 158.5
[M-H]- 231.05975 157.0
[M+NH4]+ 250.10085 169.8
[M+K]+ 271.03019 153.8
[M+H-H2O]+ 215.06429 143.9
[M+HCOO]- 277.06523 171.3
[M+CH3COO]- 291.08088 192.6
[M+Na-2H]- 253.04170 150.7
[M]+ 232.06648 149.6
[M]- 232.06758 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