CID 205541

5,6-dihydro-7h,12h,6-(2-dimethylaminopropyl)dibenz(c,f)azocine maleate

Structural Information

Molecular Formula
C20H26N2
SMILES
CC(CN1CC2=CC=CC=C2CC3=CC=CC=C3C1)N(C)C
InChI
InChI=1S/C20H26N2/c1-16(21(2)3)13-22-14-19-10-6-4-8-17(19)12-18-9-5-7-11-20(18)15-22/h4-11,16H,12-15H2,1-3H3
InChIKey
QZDNDOJTJZMASA-UHFFFAOYSA-N
Compound name
1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 169.8
[M+Na]+ 317.19882 173.7
[M-H]- 293.20232 171.8
[M+NH4]+ 312.24342 177.1
[M+K]+ 333.17276 172.7
[M+H-H2O]+ 277.20686 164.6
[M+HCOO]- 339.20780 177.4
[M+CH3COO]- 353.22345 173.3
[M+Na-2H]- 315.18427 169.1
[M]+ 294.20905 169.2
[M]- 294.21015 169.2
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.