CID 17837

5h-dibenzo(d,f)(1,3)diazepine, 6-piperidino-

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]+ 278.165176 166.7
[M+Na]+ 300.147118 172.4
[M-H]- 276.150624 170.0
[M+NH4]+ 295.191723 178.8
[M+K]+ 316.121058 168.9
[M+H-H2O]+ 260.155160 156.7
[M+HCOO]- 322.156101 179.3
[M+CH3COO]- 336.171751 175.3
[M+Na-2H]- 298.132566 173.1
[M]+ 277.15735142 158.1
[M]- 277.15844858 158.1
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.