CID 30410

20973-42-6

Structural Information

Molecular Formula
C22H19NO3
SMILES
CCOC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO3/c1-2-25-18-14-12-16(13-15-18)22-23(17-8-4-3-5-9-17)21(24)19-10-6-7-11-20(19)26-22/h3-15,22H,2H2,1H3
InChIKey
KMCPXYCBEHQQKI-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 182.7
[M+Na]+ 368.12572 200.4
[M+NH4]+ 363.17032 191.5
[M+K]+ 384.09966 190.9
[M-H]- 344.12922 191.3
[M+Na-2H]- 366.11117 192.7
[M]+ 345.13595 188.0
[M]- 345.13705 188.0
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.