CID 17837

Brn 0664740

Structural Information

Molecular Formula
C18H19N3
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2
InChI
InChI=1S/C18H19N3/c1-6-12-21(13-7-1)18-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20-18/h2-5,8-11H,1,6-7,12-13H2,(H,19,20)
InChIKey
NQCIGBIBALILNU-UHFFFAOYSA-N
Compound name
6-piperidin-1-yl-7H-benzo[d][1,3]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1579 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 168.3
[M+Na]+ 300.14712 181.6
[M+NH4]+ 295.19172 176.7
[M+K]+ 316.12106 173.8
[M-H]- 276.15062 172.3
[M+Na-2H]- 298.13257 175.7
[M]+ 277.15735 171.5
[M]- 277.15845 171.5
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.