CID 175359

Methanone, (2-methyl-6-benzoxazolyl)phenyl-

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=NC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO2/c1-10-16-13-8-7-12(9-14(13)18-10)15(17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
OMYCUQIDXCNEHW-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-benzoxazol-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 150.5
[M+Na]+ 260.068198 161.0
[M-H]- 236.071704 158.4
[M+NH4]+ 255.112803 168.4
[M+K]+ 276.042138 157.9
[M+H-H2O]+ 220.076240 143.1
[M+HCOO]- 282.077181 174.0
[M+CH3COO]- 296.092831 164.6
[M+Na-2H]- 258.053646 157.3
[M]+ 237.07843142 154.3
[M]- 237.07952858 154.3
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.