CID 31734

Ex 10-542a

Structural Information

Molecular Formula
C27H28N2
SMILES
CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1
InChI
InChI=1S/C27H28N2/c1-28-17-15-22(16-18-28)27-24-12-6-5-11-23(24)20-29(19-21-9-3-2-4-10-21)26-14-8-7-13-25(26)27/h2-14H,15-20H2,1H3
InChIKey
DEBHUBICAZKJGI-UHFFFAOYSA-N
Compound name
5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

380.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23253 201.5
[M+Na]+ 403.21447 216.3
[M+NH4]+ 398.25907 210.3
[M+K]+ 419.18841 205.9
[M-H]- 379.21797 208.8
[M+Na-2H]- 401.19992 209.6
[M]+ 380.22470 206.0
[M]- 380.22580 206.0
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.