CID 135460986

2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C23H24FN3O
SMILES
CC1=C2C(=CC=C1)C(=O)NC(=N2)CCCN3CCC(=CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FN3O/c1-16-4-2-5-20-22(16)25-21(26-23(20)28)6-3-13-27-14-11-18(12-15-27)17-7-9-19(24)10-8-17/h2,4-5,7-11H,3,6,12-15H2,1H3,(H,25,26,28)
InChIKey
LOFDUAJQRUYHBR-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

377.19034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19762 195.4
[M+Na]+ 400.17956 202.9
[M-H]- 376.18306 198.6
[M+NH4]+ 395.22416 203.1
[M+K]+ 416.15350 193.6
[M+H-H2O]+ 360.18760 182.0
[M+HCOO]- 422.18854 208.1
[M+CH3COO]- 436.20419 202.7
[M+Na-2H]- 398.16501 197.0
[M]+ 377.18979 191.7
[M]- 377.19089 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe