CID 401588

N-(2-phenyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C18H12N2O2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CS4
InChI
InChI=1S/C18H12N2O2S/c21-17(16-7-4-10-23-16)19-13-8-9-15-14(11-13)20-18(22-15)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKey
BNTMXQAGHQBNOD-UHFFFAOYSA-N
Compound name
N-(2-phenyl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

23
Patents

320.06195 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06923 171.7
[M+Na]+ 343.05117 182.3
[M-H]- 319.05467 183.6
[M+NH4]+ 338.09577 188.4
[M+K]+ 359.02511 178.1
[M+H-H2O]+ 303.05921 165.0
[M+HCOO]- 365.06015 193.0
[M+CH3COO]- 379.07580 184.8
[M+Na-2H]- 341.03662 174.5
[M]+ 320.06140 177.0
[M]- 320.06250 177.0
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.