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 169.8
[M+Na]+ 315.18316 175.6
[M-H]- 291.18666 175.8
[M+NH4]+ 310.22776 185.8
[M+K]+ 331.15710 175.0
[M+H-H2O]+ 275.19120 162.6
[M+HCOO]- 337.19214 190.1
[M+CH3COO]- 351.20779 180.5
[M+Na-2H]- 313.16861 176.3
[M]+ 292.19339 169.8
[M]- 292.19449 169.8
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.