CID 30433

20978-99-8

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCOC1=CC=C(C=C1)N2C(OC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C17H17NO3/c1-3-20-14-10-8-13(9-11-14)18-12(2)21-16-7-5-4-6-15(16)17(18)19/h4-12H,3H2,1-2H3
InChIKey
BGISKVRISWAIMG-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-methyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.0
[M+Na]+ 306.11007 173.6
[M-H]- 282.11357 172.0
[M+NH4]+ 301.15467 179.4
[M+K]+ 322.08401 170.8
[M+H-H2O]+ 266.11811 156.1
[M+HCOO]- 328.11905 183.8
[M+CH3COO]- 342.13470 202.1
[M+Na-2H]- 304.09552 170.4
[M]+ 283.12030 167.2
[M]- 283.12140 167.2
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.