CID 74982

Brn 0262688

Structural Information

Molecular Formula
C20H26N2
SMILES
CCN(CC)CCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C20H26N2/c1-3-21(4-2)15-16-22-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)22/h5-12H,3-4,13-16H2,1-2H3
InChIKey
BIBNMUJJPRRCJS-UHFFFAOYSA-N
Compound name
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 170.8
[M+Na]+ 317.19882 182.7
[M+NH4]+ 312.24342 179.6
[M+K]+ 333.17276 174.8
[M-H]- 293.20232 175.2
[M+Na-2H]- 315.18427 177.4
[M]+ 294.20905 173.9
[M]- 294.21015 173.9
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.