CID 2756390

3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C1=CC(=CC=C1C2=CC(=C(S2)C(=O)N)N)Cl
InChI
InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)
InChIKey
MQYJPACEBWKWEH-UHFFFAOYSA-N
Compound name
3-amino-5-(4-chlorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

252.0124 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.01968 154.0
[M+Na]+ 275.00162 163.8
[M-H]- 251.00512 160.9
[M+NH4]+ 270.04622 173.5
[M+K]+ 290.97556 157.7
[M+H-H2O]+ 235.00966 148.6
[M+HCOO]- 297.01060 170.4
[M+CH3COO]- 311.02625 194.5
[M+Na-2H]- 272.98707 153.3
[M]+ 252.01185 155.1
[M]- 252.01295 155.1
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