CID 205553

5,6,7,12-tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-dibenz(c,f)azocine maleate

Structural Information

Molecular Formula
C21H26N2
SMILES
C1CCN(C1)CCN2CC3=CC=CC=C3CC4=CC=CC=C4C2
InChI
InChI=1S/C21H26N2/c1-3-9-20-16-23(14-13-22-11-5-6-12-22)17-21-10-4-2-8-19(21)15-18(20)7-1/h1-4,7-10H,5-6,11-17H2
InChIKey
DGYVVCCWSWFWQG-UHFFFAOYSA-N
Compound name
11-(2-pyrrolidin-1-ylethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 168.8
[M+Na]+ 329.19882 173.0
[M+NH4]+ 324.24342 171.8
[M+K]+ 345.17276 170.9
[M-H]- 305.20232 170.3
[M+Na-2H]- 327.18427 171.2
[M]+ 306.20905 169.8
[M]- 306.21015 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.