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 178.6
[M+Na]+ 343.17809 184.0
[M-H]- 319.18159 184.3
[M+NH4]+ 338.22269 191.3
[M+K]+ 359.15203 181.4
[M+H-H2O]+ 303.18613 169.3
[M+HCOO]- 365.18707 191.8
[M+CH3COO]- 379.20272 187.3
[M+Na-2H]- 341.16354 181.4
[M]+ 320.18832 172.1
[M]- 320.18942 172.1
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.