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 161.4
[M+Na]+ 288.14712 168.4
[M-H]- 264.15062 165.4
[M+NH4]+ 283.19172 176.6
[M+K]+ 304.12106 167.5
[M+H-H2O]+ 248.15516 153.6
[M+HCOO]- 310.15610 180.1
[M+CH3COO]- 324.17175 172.1
[M+Na-2H]- 286.13257 169.3
[M]+ 265.15735 159.2
[M]- 265.15845 159.2
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.