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 170.9
[M+Na]+ 315.18316 174.5
[M-H]- 291.18666 174.7
[M+NH4]+ 310.22776 183.6
[M+K]+ 331.15710 170.9
[M+H-H2O]+ 275.19120 161.9
[M+HCOO]- 337.19214 182.7
[M+CH3COO]- 351.20779 178.8
[M+Na-2H]- 313.16861 175.3
[M]+ 292.19339 161.0
[M]- 292.19449 161.0
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

patents stripe