CID 213149

Brn 0438215

Structural Information

Molecular Formula
C20H22N2O
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)N4CCCCC4
InChI
InChI=1S/C20H22N2O/c1-21-18-12-6-5-11-17(18)19(22-13-7-2-8-14-22)15-9-3-4-10-16(15)20(21)23/h3-6,9-12,19H,2,7-8,13-14H2,1H3
InChIKey
LFAGCECBZQPSAP-UHFFFAOYSA-N
Compound name
5-methyl-11-piperidin-1-yl-11H-benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.8
[M+Na]+ 329.16244 188.8
[M+NH4]+ 324.20704 184.2
[M+K]+ 345.13638 181.1
[M-H]- 305.16594 180.3
[M+Na-2H]- 327.14789 182.0
[M]+ 306.17267 179.1
[M]- 306.17377 179.1
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.