CID 482242

2-(2,4-dimethylphenyl)-5-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C16H15NO
SMILES
CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C)C
InChI
InChI=1S/C16H15NO/c1-10-4-6-13(12(3)8-10)16-17-14-9-11(2)5-7-15(14)18-16/h4-9H,1-3H3
InChIKey
DHZMXZUXCRYOPK-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

237.11537 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 152.5
[M+Na]+ 260.10459 164.7
[M-H]- 236.10809 161.0
[M+NH4]+ 255.14919 171.4
[M+K]+ 276.07853 160.9
[M+H-H2O]+ 220.11263 145.4
[M+HCOO]- 282.11357 176.3
[M+CH3COO]- 296.12922 167.2
[M+Na-2H]- 258.09004 158.6
[M]+ 237.11482 157.5
[M]- 237.11592 157.5
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