CID 205551

6-(2-(diethylamino)ethyl)-5,6,7,12-tetrahydro-dibenz(c,f)azocine dimaleate

Structural Information

Molecular Formula
C21H28N2
SMILES
CCN(CC)CCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C21H28N2/c1-3-22(4-2)13-14-23-16-20-11-7-5-9-18(20)15-19-10-6-8-12-21(19)17-23/h5-12H,3-4,13-17H2,1-2H3
InChIKey
YLMXAMDNVAMHBT-UHFFFAOYSA-N
Compound name
2-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 171.0
[M+Na]+ 331.21447 174.8
[M-H]- 307.21797 172.9
[M+NH4]+ 326.25907 178.1
[M+K]+ 347.18841 173.5
[M+H-H2O]+ 291.22251 165.6
[M+HCOO]- 353.22345 178.9
[M+CH3COO]- 367.23910 174.4
[M+Na-2H]- 329.19992 170.6
[M]+ 308.22470 170.8
[M]- 308.22580 170.8
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.