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]+ 270.112476 159.2
[M+Na]+ 292.094418 171.0
[M-H]- 268.097924 167.7
[M+NH4]+ 287.139023 176.5
[M+K]+ 308.068358 168.5
[M+H-H2O]+ 252.102460 151.7
[M+HCOO]- 314.103401 183.3
[M+CH3COO]- 328.119051 173.4
[M+Na-2H]- 290.079866 165.3
[M]+ 269.10465142 166.9
[M]- 269.10574858 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.