CID 63678

Brn 5384021

Structural Information

Molecular Formula
C22H16F2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC=C(C=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H16F2N2O2/c23-16-7-10-18(20(24)13-16)15-5-8-17(9-6-15)28-12-11-26-14-25-21-4-2-1-3-19(21)22(26)27/h1-10,13-14H,11-12H2
InChIKey
DUBSBPFRYLPHDW-UHFFFAOYSA-N
Compound name
3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

378.11798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12526 190.8
[M+Na]+ 401.10720 201.1
[M-H]- 377.11070 196.4
[M+NH4]+ 396.15180 200.5
[M+K]+ 417.08114 193.1
[M+H-H2O]+ 361.11524 176.9
[M+HCOO]- 423.11618 208.6
[M+CH3COO]- 437.13183 200.3
[M+Na-2H]- 399.09265 194.7
[M]+ 378.11743 191.2
[M]- 378.11853 191.2
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

patents stripe