CID 213150

Brn 0432253

Structural Information

Molecular Formula
C21H24N2O
SMILES
CCN1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)N4CCCCC4
InChI
InChI=1S/C21H24N2O/c1-2-23-19-13-7-6-12-18(19)20(22-14-8-3-9-15-22)16-10-4-5-11-17(16)21(23)24/h4-7,10-13,20H,2-3,8-9,14-15H2,1H3
InChIKey
VNPDZMVJQVPHRM-UHFFFAOYSA-N
Compound name
5-ethyl-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

320.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 180.1
[M+Na]+ 343.17809 192.9
[M+NH4]+ 338.22269 188.3
[M+K]+ 359.15203 185.0
[M-H]- 319.18159 184.6
[M+Na-2H]- 341.16354 186.0
[M]+ 320.18832 183.4
[M]- 320.18942 183.4
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.