CID 207488

30115-75-4

Structural Information

Molecular Formula
C20H26N2
SMILES
CNCCCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C20H26N2/c1-21-13-6-14-22-15-19-9-4-2-7-17(19)11-12-18-8-3-5-10-20(18)16-22/h2-5,7-10,21H,6,11-16H2,1H3
InChIKey
GATSFLUBLRJBDK-UHFFFAOYSA-N
Compound name
N-methyl-3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 189.7
[M+Na]+ 317.19882 191.7
[M+NH4]+ 312.24342 191.0
[M+K]+ 333.17276 189.1
[M-H]- 293.20232 190.4
[M+Na-2H]- 315.18427 189.5
[M]+ 294.20905 190.3
[M]- 294.21015 190.3
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.