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]+ 346.143776 183.1
[M+Na]+ 368.125718 190.6
[M-H]- 344.129224 192.6
[M+NH4]+ 363.170323 194.0
[M+K]+ 384.099658 186.1
[M+H-H2O]+ 328.133760 172.0
[M+HCOO]- 390.134701 201.1
[M+CH3COO]- 404.150351 193.4
[M+Na-2H]- 366.111166 187.8
[M]+ 345.13595142 183.9
[M]- 345.13704858 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.