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]+ 293.201216 169.8
[M+Na]+ 315.183158 175.6
[M-H]- 291.186664 175.8
[M+NH4]+ 310.227763 185.8
[M+K]+ 331.157098 175.0
[M+H-H2O]+ 275.191200 162.6
[M+HCOO]- 337.192141 190.1
[M+CH3COO]- 351.207791 180.5
[M+Na-2H]- 313.168606 176.3
[M]+ 292.19339142 169.8
[M]- 292.19448858 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.