CID 17896

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

Structural Information

Molecular Formula
C17H19N3
SMILES
CCN(CC)C1=NC2=CC=CC=C2C3=CC=CC=C3N1
InChI
InChI=1S/C17H19N3/c1-3-20(4-2)17-18-15-11-7-5-9-13(15)14-10-6-8-12-16(14)19-17/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKey
LOEIGNARHDTNQJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.1
[M+Na]+ 288.14712 173.6
[M+NH4]+ 283.19172 169.3
[M+K]+ 304.12106 166.8
[M-H]- 264.15062 164.4
[M+Na-2H]- 286.13257 168.2
[M]+ 265.15735 164.0
[M]- 265.15845 164.0
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.