CID 21109906

3-(1-benzylpiperidin-4-yl)-3,4-dihydroquinazolin-2-amine

Structural Information

Molecular Formula
C20H24N4
SMILES
C1CN(CCC1N2CC3=CC=CC=C3N=C2N)CC4=CC=CC=C4
InChI
InChI=1S/C20H24N4/c21-20-22-19-9-5-4-8-17(19)15-24(20)18-10-12-23(13-11-18)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H2,21,22)
InChIKey
XNNFBBLTVHCALP-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-4H-quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.2001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20738 180.3
[M+Na]+ 343.18932 195.2
[M+NH4]+ 338.23392 189.0
[M+K]+ 359.16326 185.7
[M-H]- 319.19282 187.1
[M+Na-2H]- 341.17477 189.4
[M]+ 320.19955 184.4
[M]- 320.20065 184.4
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

patents stripe