CID 115859

Brn 0243682

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]+ 295.216876 170.5
[M+Na]+ 317.198818 175.2
[M-H]- 293.202324 176.1
[M+NH4]+ 312.243423 186.2
[M+K]+ 333.172758 174.6
[M+H-H2O]+ 277.206860 163.1
[M+HCOO]- 339.207801 189.3
[M+CH3COO]- 353.223451 180.6
[M+Na-2H]- 315.184266 176.0
[M]+ 294.20905142 169.0
[M]- 294.21014858 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.