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]+ 393.140916 196.1
[M+Na]+ 415.122858 206.8
[M-H]- 391.126364 201.8
[M+NH4]+ 410.167463 205.4
[M+K]+ 431.096798 198.6
[M+H-H2O]+ 375.130900 182.1
[M+HCOO]- 437.131841 213.4
[M+CH3COO]- 451.147491 205.4
[M+Na-2H]- 413.108306 198.6
[M]+ 392.13309142 197.2
[M]- 392.13418858 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.