CID 115375

63918-71-8

Structural Information

Molecular Formula
C21H28N2
SMILES
CCN(CC)C(C)CN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H28N2/c1-4-22(5-2)17(3)16-23-20-12-8-6-10-18(20)14-15-19-11-7-9-13-21(19)23/h6-13,17H,4-5,14-16H2,1-3H3
InChIKey
IFKXGGXTWBFSFQ-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-diethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 174.7
[M+Na]+ 331.21447 186.0
[M+NH4]+ 326.25907 183.2
[M+K]+ 347.18841 178.7
[M-H]- 307.21797 178.8
[M+Na-2H]- 329.19992 180.7
[M]+ 308.22470 177.6
[M]- 308.22580 177.6
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.