CID 115859

63918-72-9

Structural Information

Molecular Formula
C20H26N2
SMILES
CCN(CC)CCN1CC2=CC=CC=C2C3=CC=CC=C3C1
InChI
InChI=1S/C20H26N2/c1-3-21(4-2)13-14-22-15-17-9-5-7-11-19(17)20-12-8-6-10-18(20)16-22/h5-12H,3-4,13-16H2,1-2H3
InChIKey
VNOGBPCURSCKDW-UHFFFAOYSA-N
Compound name
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N,N-diethylethanamine
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 170.5
[M+Na]+ 317.19882 175.2
[M-H]- 293.20232 176.1
[M+NH4]+ 312.24342 186.2
[M+K]+ 333.17276 174.6
[M+H-H2O]+ 277.20686 163.1
[M+HCOO]- 339.20780 189.3
[M+CH3COO]- 353.22345 180.6
[M+Na-2H]- 315.18427 176.0
[M]+ 294.20905 169.0
[M]- 294.21015 169.0
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.