CID 85307

16155-94-5

Structural Information

Molecular Formula
C15H13NO
SMILES
CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C
InChI
InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
InChIKey
RETREZSKHMFVCD-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-methylphenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

35
Patents

223.09972 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 147.7
[M+Na]+ 246.08894 159.4
[M-H]- 222.09244 156.0
[M+NH4]+ 241.13354 166.9
[M+K]+ 262.06288 155.9
[M+H-H2O]+ 206.09698 140.6
[M+HCOO]- 268.09792 171.9
[M+CH3COO]- 282.11357 162.5
[M+Na-2H]- 244.07439 155.1
[M]+ 223.09917 151.9
[M]- 223.10027 151.9
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.