CID 841613

2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide

Structural Information

Molecular Formula
C13H14N2OS
SMILES
CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)N)C
InChI
InChI=1S/C13H14N2OS/c1-7-3-4-9(5-8(7)2)10-6-17-13(15)11(10)12(14)16/h3-6H,15H2,1-2H3,(H2,14,16)
InChIKey
KHKAAHCGWUFMLI-UHFFFAOYSA-N
Compound name
2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

246.08269 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08997 155.1
[M+Na]+ 269.07191 164.2
[M-H]- 245.07541 162.1
[M+NH4]+ 264.11651 174.3
[M+K]+ 285.04585 159.4
[M+H-H2O]+ 229.07995 148.7
[M+HCOO]- 291.08089 175.4
[M+CH3COO]- 305.09654 198.0
[M+Na-2H]- 267.05736 153.3
[M]+ 246.08214 155.3
[M]- 246.08324 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe