CID 213152

25606-73-9

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]+ 335.211776 183.0
[M+Na]+ 357.193718 187.9
[M-H]- 333.197224 188.4
[M+NH4]+ 352.238323 195.0
[M+K]+ 373.167658 185.1
[M+H-H2O]+ 317.201760 173.4
[M+HCOO]- 379.202701 195.8
[M+CH3COO]- 393.218351 191.2
[M+Na-2H]- 355.179166 185.2
[M]+ 334.20395142 176.7
[M]- 334.20504858 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.