CID 205539

Dibenz(c,f)azocine, 6-(3-(dimethylamino)propyl)-5,6,7,12-tetrahydro-, maleate (1:2)

Structural Information

Molecular Formula
C20H26N2
SMILES
CN(C)CCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C20H26N2/c1-21(2)12-7-13-22-15-19-10-5-3-8-17(19)14-18-9-4-6-11-20(18)16-22/h3-6,8-11H,7,12-16H2,1-2H3
InChIKey
WSYBYCPXNLBLDR-UHFFFAOYSA-N
Compound name
3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 168.7
[M+Na]+ 317.198818 172.7
[M-H]- 293.202324 170.7
[M+NH4]+ 312.243423 176.0
[M+K]+ 333.172758 171.5
[M+H-H2O]+ 277.206860 163.4
[M+HCOO]- 339.207801 176.8
[M+CH3COO]- 353.223451 172.3
[M+Na-2H]- 315.184266 168.6
[M]+ 294.20905142 168.4
[M]- 294.21014858 168.4
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.