CID 13524889

103952-83-6

Structural Information

Molecular Formula
C25H20F3NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H20F3NO6/c1-32-19-12-15(13-20(33-2)21(19)34-3)22(30)29-23(31)17-6-4-5-7-18(17)35-24(29)14-8-10-16(11-9-14)25(26,27)28/h4-13,24H,1-3H3
InChIKey
IGBGQBSJFDWGLR-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.12427 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.131546 216.7
[M+Na]+ 510.113488 225.2
[M-H]- 486.116994 223.0
[M+NH4]+ 505.158093 221.9
[M+K]+ 526.087428 222.1
[M+H-H2O]+ 470.121530 202.7
[M+HCOO]- 532.122471 228.1
[M+CH3COO]- 546.138121 239.8
[M+Na-2H]- 508.098936 216.1
[M]+ 487.12372142 218.9
[M]- 487.12481858 218.9
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.