CID 218937

41296-65-5

Structural Information

Molecular Formula
C18H13NO2S
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3
InChI
InChI=1S/C18H13NO2S/c20-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-18(21)16-11-6-12-22-16/h1-12H,(H,19,21)
InChIKey
JBRVQHUXHJEIKU-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0667 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07398 171.5
[M+Na]+ 330.05592 178.2
[M-H]- 306.05942 181.6
[M+NH4]+ 325.10052 187.6
[M+K]+ 346.02986 173.0
[M+H-H2O]+ 290.06396 163.7
[M+HCOO]- 352.06490 191.6
[M+CH3COO]- 366.08055 183.1
[M+Na-2H]- 328.04137 172.1
[M]+ 307.06615 172.5
[M]- 307.06725 172.5
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.