CID 2292972

N-(4-methylphenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C12H11NOS
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CS2
InChI
InChI=1S/C12H11NOS/c1-9-4-6-10(7-5-9)13-12(14)11-3-2-8-15-11/h2-8H,1H3,(H,13,14)
InChIKey
WRENGQYLTDHYJS-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

27
Patents

217.05614 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06342 147.1
[M+Na]+ 240.04536 155.2
[M-H]- 216.04886 154.5
[M+NH4]+ 235.08996 167.7
[M+K]+ 256.01930 151.4
[M+H-H2O]+ 200.05340 140.7
[M+HCOO]- 262.05434 168.3
[M+CH3COO]- 276.06999 187.0
[M+Na-2H]- 238.03081 149.2
[M]+ 217.05559 148.4
[M]- 217.05669 148.4
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