CID 17843

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

Structural Information

Molecular Formula
C17H17N3
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2
InChI
InChI=1S/C17H17N3/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)19-17(18-15)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
InChIKey
BYJFDNAQPKWFDT-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-yl-7H-benzo[d][1,3]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14952 162.3
[M+Na]+ 286.13146 169.4
[M-H]- 262.13496 166.5
[M+NH4]+ 281.17606 177.0
[M+K]+ 302.10540 165.7
[M+H-H2O]+ 246.13950 153.0
[M+HCOO]- 308.14044 177.5
[M+CH3COO]- 322.15609 172.2
[M+Na-2H]- 284.11691 167.2
[M]+ 263.14169 155.6
[M]- 263.14279 155.6
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.