CID 24212761

N-(4-butylphenyl)-3-chloro-2-thiophenecarboxamide

Structural Information

Molecular Formula
C15H16ClNOS
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)Cl
InChI
InChI=1S/C15H16ClNOS/c1-2-3-4-11-5-7-12(8-6-11)17-15(18)14-13(16)9-10-19-14/h5-10H,2-4H2,1H3,(H,17,18)
InChIKey
JGCOCAQZAPTAOP-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-chlorothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06412 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07140 167.7
[M+Na]+ 316.05334 176.0
[M-H]- 292.05684 174.8
[M+NH4]+ 311.09794 186.4
[M+K]+ 332.02728 169.7
[M+H-H2O]+ 276.06138 161.7
[M+HCOO]- 338.06232 183.2
[M+CH3COO]- 352.07797 200.8
[M+Na-2H]- 314.03879 167.1
[M]+ 293.06357 172.4
[M]- 293.06467 172.4
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

No patent data available for this compound.