CID 135444661

Fr247304

Structural Information

Molecular Formula
C22H22ClN3O
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCC3=NC4=C(C(=CC=C4)Cl)C(=O)N3
InChI
InChI=1S/C22H22ClN3O/c23-18-8-4-9-19-21(18)22(27)25-20(24-19)10-5-13-26-14-11-17(12-15-26)16-6-2-1-3-7-16/h1-4,6-9,11H,5,10,12-15H2,(H,24,25,27)
InChIKey
QJGMBDBIOLISMH-UHFFFAOYSA-N
Compound name
5-chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

44
Patents

379.14514 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15242 192.2
[M+Na]+ 402.13436 199.9
[M-H]- 378.13786 196.2
[M+NH4]+ 397.17896 200.5
[M+K]+ 418.10830 190.2
[M+H-H2O]+ 362.14240 180.0
[M+HCOO]- 424.14334 201.7
[M+CH3COO]- 438.15899 199.9
[M+Na-2H]- 400.11981 195.4
[M]+ 379.14459 191.0
[M]- 379.14569 191.0
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