CID 53320629

Chembl1667881

Structural Information

Molecular Formula
C21H23N3
SMILES
C1CCCN2C(=NC3=CC=CC=C3C2=NCC4=CC=CC=C4)CC1
InChI
InChI=1S/C21H23N3/c1-2-9-15-24-20(14-6-1)23-19-13-8-7-12-18(19)21(24)22-16-17-10-4-3-5-11-17/h3-5,7-8,10-13H,1-2,6,9,14-16H2
InChIKey
NNAHAIKGFFBXOZ-UHFFFAOYSA-N
Compound name
N-benzyl-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.1892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 167.3
[M+Na]+ 340.17842 171.4
[M-H]- 316.18192 169.9
[M+NH4]+ 335.22302 173.3
[M+K]+ 356.15236 169.3
[M+H-H2O]+ 300.18646 161.1
[M+HCOO]- 362.18740 175.2
[M+CH3COO]- 376.20305 170.7
[M+Na-2H]- 338.16387 168.3
[M]+ 317.18865 165.5
[M]- 317.18975 165.5
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

No patent data available for this compound.