CID 115858

5-(2'-(n,n-diethylamino)ethyl)-5h-dibenz(b,f)azepine

Structural Information

Molecular Formula
C20H24N2
SMILES
CCN(CC)CCN1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C20H24N2/c1-3-21(4-2)15-16-22-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)22/h5-14H,3-4,15-16H2,1-2H3
InChIKey
COAKLNSLMLYVFE-UHFFFAOYSA-N
Compound name
2-benzo[b][1]benzazepin-11-yl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 169.7
[M+Na]+ 315.18316 182.4
[M+NH4]+ 310.22776 178.6
[M+K]+ 331.15710 174.4
[M-H]- 291.18666 174.3
[M+Na-2H]- 313.16861 177.1
[M]+ 292.19339 173.1
[M]- 292.19449 173.1
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.