CID 30434

20979-00-4

Structural Information

Molecular Formula
C16H15NO3
SMILES
CCOC1=CC=C(C=C1)N2COC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H15NO3/c1-2-19-13-9-7-12(8-10-13)17-11-20-15-6-4-3-5-14(15)16(17)18/h3-10H,2,11H2,1H3
InChIKey
JZDNPTVOJHBNIN-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.1
[M+Na]+ 292.09442 168.2
[M-H]- 268.09792 166.9
[M+NH4]+ 287.13902 174.7
[M+K]+ 308.06836 165.5
[M+H-H2O]+ 252.10246 151.2
[M+HCOO]- 314.10340 179.2
[M+CH3COO]- 328.11905 172.1
[M+Na-2H]- 290.07987 166.8
[M]+ 269.10465 161.5
[M]- 269.10575 161.5
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.