CID 209751

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

Structural Information

Molecular Formula
C19H24N2
SMILES
CNCCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1
InChI
InChI=1S/C19H24N2/c1-20-11-6-12-21-14-18-9-4-2-7-16(18)13-17-8-3-5-10-19(17)15-21/h2-5,7-10,20H,6,11-15H2,1H3
InChIKey
WMWBTBWHQVYRDJ-UHFFFAOYSA-N
Compound name
3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 164.2
[M+Na]+ 303.183158 168.4
[M-H]- 279.186664 165.7
[M+NH4]+ 298.227763 171.6
[M+K]+ 319.157098 166.8
[M+H-H2O]+ 263.191200 159.2
[M+HCOO]- 325.192141 172.4
[M+CH3COO]- 339.207791 168.0
[M+Na-2H]- 301.168606 164.9
[M]+ 280.19339142 163.3
[M]- 280.19448858 163.3
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.