CID 64009

Brn 5358409

Structural Information

Molecular Formula
C23H18F2N2O2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CCOC3=CC=C(C=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C23H18F2N2O2/c1-15-26-22-5-3-2-4-20(22)23(28)27(15)12-13-29-18-9-6-16(7-10-18)19-11-8-17(24)14-21(19)25/h2-11,14H,12-13H2,1H3
InChIKey
CMDAIRMLIJUPHR-UHFFFAOYSA-N
Compound name
3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.13364 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14092 196.1
[M+Na]+ 415.12286 206.8
[M-H]- 391.12636 201.8
[M+NH4]+ 410.16746 205.4
[M+K]+ 431.09680 198.6
[M+H-H2O]+ 375.13090 182.1
[M+HCOO]- 437.13184 213.4
[M+CH3COO]- 451.14749 205.4
[M+Na-2H]- 413.10831 198.6
[M]+ 392.13309 197.2
[M]- 392.13419 197.2
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.