CID 719693

307544-24-7

Structural Information

Molecular Formula
C20H21N3
SMILES
CC1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3/c1-15-11-13-23(14-12-15)20-17-9-5-6-10-18(17)21-19(22-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKey
JQXJPNSRTIEFOL-UHFFFAOYSA-N
Compound name
4-(4-methylpiperidin-1-yl)-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

303.17355 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 175.6
[M+Na]+ 326.162768 181.9
[M-H]- 302.166274 180.8
[M+NH4]+ 321.207373 186.5
[M+K]+ 342.136708 174.7
[M+H-H2O]+ 286.170810 163.1
[M+HCOO]- 348.171751 190.2
[M+CH3COO]- 362.187401 184.5
[M+Na-2H]- 324.148216 180.4
[M]+ 303.17300142 170.7
[M]- 303.17409858 170.7
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