CID 213152

Brn 0436531

Structural Information

Molecular Formula
C22H26N2O
SMILES
CCCN1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)N4CCCCC4
InChI
InChI=1S/C22H26N2O/c1-2-14-24-20-13-7-6-12-19(20)21(23-15-8-3-9-16-23)17-10-4-5-11-18(17)22(24)25/h4-7,10-13,21H,2-3,8-9,14-16H2,1H3
InChIKey
FZFGSKHGFHJZNC-UHFFFAOYSA-N
Compound name
11-piperidin-1-yl-5-propyl-11H-benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 183.0
[M+Na]+ 357.19372 187.9
[M-H]- 333.19722 188.4
[M+NH4]+ 352.23832 195.0
[M+K]+ 373.16766 185.1
[M+H-H2O]+ 317.20176 173.4
[M+HCOO]- 379.20270 195.8
[M+CH3COO]- 393.21835 191.2
[M+Na-2H]- 355.17917 185.2
[M]+ 334.20395 176.7
[M]- 334.20505 176.7
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.