CID 482248

2-(2,4-dimethylphenyl)-6-methyl-1,3-benzoxazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.