CID 482243

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

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C16H15NO3/c1-10-4-7-14-13(8-10)17-16(20-14)12-6-5-11(18-2)9-15(12)19-3/h4-9H,1-3H3
InChIKey
KOQDBNJUSLBPKV-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.1052 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 159.2
[M+Na]+ 292.09442 171.0
[M-H]- 268.09792 167.7
[M+NH4]+ 287.13902 176.5
[M+K]+ 308.06836 168.5
[M+H-H2O]+ 252.10246 151.7
[M+HCOO]- 314.10340 183.3
[M+CH3COO]- 328.11905 173.4
[M+Na-2H]- 290.07987 165.3
[M]+ 269.10465 166.9
[M]- 269.10575 166.9
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

No patent data available for this compound.