CID 3048896

64097-56-9

Structural Information

Molecular Formula
C20H24N2
SMILES
C1CCN(CC1)CC2=CC3=C(C=C2)NC4=CC=CC=C4CC3
InChI
InChI=1S/C20H24N2/c1-4-12-22(13-5-1)15-16-8-11-20-18(14-16)10-9-17-6-2-3-7-19(17)21-20/h2-3,6-8,11,14,21H,1,4-5,9-10,12-13,15H2
InChIKey
LVIUATNZUAAENC-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 173.6
[M+Na]+ 315.18316 185.9
[M+NH4]+ 310.22776 182.4
[M+K]+ 331.15710 177.6
[M-H]- 291.18666 178.2
[M+Na-2H]- 313.16861 180.2
[M]+ 292.19339 176.8
[M]- 292.19449 176.8
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.