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 163.1
[M+Na]+ 286.13146 175.6
[M+NH4]+ 281.17606 171.5
[M+K]+ 302.10540 170.2
[M-H]- 262.13496 166.6
[M+Na-2H]- 284.11691 170.0
[M]+ 263.14169 166.0
[M]- 263.14279 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.