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 199.2
[M+Na]+ 403.21447 203.7
[M-H]- 379.21797 207.0
[M+NH4]+ 398.25907 208.9
[M+K]+ 419.18841 198.5
[M+H-H2O]+ 363.22251 188.3
[M+HCOO]- 425.22345 211.2
[M+CH3COO]- 439.23910 206.1
[M+Na-2H]- 401.19992 200.6
[M]+ 380.22470 190.4
[M]- 380.22580 190.4
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.