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 183.1
[M+Na]+ 368.12572 190.6
[M-H]- 344.12922 192.6
[M+NH4]+ 363.17032 194.0
[M+K]+ 384.09966 186.1
[M+H-H2O]+ 328.13376 172.0
[M+HCOO]- 390.13470 201.1
[M+CH3COO]- 404.15035 193.4
[M+Na-2H]- 366.11117 187.8
[M]+ 345.13595 183.9
[M]- 345.13705 183.9
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.