CID 780644

2-phenyl-4-(piperidin-1-yl)quinazoline

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c1-3-9-15(10-4-1)18-20-17-12-6-5-11-16(17)19(21-18)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2
InChIKey
XYKFBMSBIHMNAV-UHFFFAOYSA-N
Compound name
2-phenyl-4-piperidin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

289.1579 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 171.0
[M+Na]+ 312.14712 188.2
[M+NH4]+ 307.19172 180.6
[M+K]+ 328.12106 177.9
[M-H]- 288.15062 177.9
[M+Na-2H]- 310.13257 182.3
[M]+ 289.15735 175.7
[M]- 289.15845 175.7
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