CID 63327

134563-15-8

Structural Information

Molecular Formula
C23H16F2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C23H16F2N2O2/c24-17-9-10-18(20(25)13-17)15-5-7-16(8-6-15)22(28)11-12-27-14-26-21-4-2-1-3-19(21)23(27)29/h1-10,13-14H,11-12H2
InChIKey
QIMALGXJTQRIIE-UHFFFAOYSA-N
Compound name
3-[3-[4-(2,4-difluorophenyl)phenyl]-3-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12526 193.9
[M+Na]+ 413.10720 203.7
[M-H]- 389.11070 199.4
[M+NH4]+ 408.15180 202.9
[M+K]+ 429.08114 195.4
[M+H-H2O]+ 373.11524 180.1
[M+HCOO]- 435.11618 210.5
[M+CH3COO]- 449.13183 202.9
[M+Na-2H]- 411.09265 196.2
[M]+ 390.11743 193.4
[M]- 390.11853 193.4
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.