CID 34824

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-(diethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H30N2
SMILES
CCN(CC)CCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C22H30N2/c1-3-23(4-2)15-16-24-17-21-11-7-5-9-19(21)13-14-20-10-6-8-12-22(20)18-24/h5-12H,3-4,13-18H2,1-2H3
InChIKey
OGFXRLHXXCNKIU-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 196.4
[M+Na]+ 345.23012 194.4
[M-H]- 321.23362 194.8
[M+NH4]+ 340.27472 195.0
[M+K]+ 361.20406 194.0
[M+H-H2O]+ 305.23816 186.2
[M+HCOO]- 367.23910 195.6
[M+CH3COO]- 381.25475 196.2
[M+Na-2H]- 343.21557 197.1
[M]+ 322.24035 195.2
[M]- 322.24145 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.