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]+ 264.149516 162.3
[M+Na]+ 286.131458 169.4
[M-H]- 262.134964 166.5
[M+NH4]+ 281.176063 177.0
[M+K]+ 302.105398 165.7
[M+H-H2O]+ 246.139500 153.0
[M+HCOO]- 308.140441 177.5
[M+CH3COO]- 322.156091 172.2
[M+Na-2H]- 284.116906 167.2
[M]+ 263.14169142 155.6
[M]- 263.14278858 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.