CID 81919

5-methyl-2-phenylbenzoxazole

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO/c1-10-7-8-13-12(9-10)15-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
RDBLNMQDEWOUIB-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3886
Patents

209.08406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.091336 142.8
[M+Na]+ 232.073278 154.1
[M-H]- 208.076784 150.8
[M+NH4]+ 227.117883 162.2
[M+K]+ 248.047218 150.7
[M+H-H2O]+ 192.081320 135.7
[M+HCOO]- 254.082261 167.4
[M+CH3COO]- 268.097911 157.7
[M+Na-2H]- 230.058726 151.5
[M]+ 209.08351142 146.3
[M]- 209.08460858 146.3
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