CID 205541

Dibenz(c,f)azocine, 6-(2-(dimethylamino)propyl)-5,6,7,12-tetrahydro-, maleate (1:1)

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]+ 295.216876 169.8
[M+Na]+ 317.198818 173.7
[M-H]- 293.202324 171.8
[M+NH4]+ 312.243423 177.1
[M+K]+ 333.172758 172.7
[M+H-H2O]+ 277.206860 164.6
[M+HCOO]- 339.207801 177.4
[M+CH3COO]- 353.223451 173.3
[M+Na-2H]- 315.184266 169.1
[M]+ 294.20905142 169.2
[M]- 294.21014858 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.