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

literature stripe

Patent stripe

patents stripe