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]+ 488.13155 216.7
[M+Na]+ 510.11349 225.2
[M-H]- 486.11699 223.0
[M+NH4]+ 505.15809 221.9
[M+K]+ 526.08743 222.1
[M+H-H2O]+ 470.12153 202.7
[M+HCOO]- 532.12247 228.1
[M+CH3COO]- 546.13812 239.8
[M+Na-2H]- 508.09894 216.1
[M]+ 487.12372 218.9
[M]- 487.12482 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.