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]+ 284.128126 165.0
[M+Na]+ 306.110068 173.6
[M-H]- 282.113574 172.0
[M+NH4]+ 301.154673 179.4
[M+K]+ 322.084008 170.8
[M+H-H2O]+ 266.118110 156.1
[M+HCOO]- 328.119051 183.8
[M+CH3COO]- 342.134701 202.1
[M+Na-2H]- 304.095516 170.4
[M]+ 283.12030142 167.2
[M]- 283.12139858 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.