CID 213151

25606-72-8

Structural Information

Molecular Formula
C22H24N2O
SMILES
C=CCN1C2=CC=CC=C2C(C3=CC=CC=C3C1=O)N4CCCCC4
InChI
InChI=1S/C22H24N2O/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/h2,4-7,10-13,21H,1,3,8-9,14-16H2
InChIKey
SCRBKDFVMHZSFT-UHFFFAOYSA-N
Compound name
11-piperidin-1-yl-5-prop-2-enyl-11H-benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.196146 182.1
[M+Na]+ 355.178088 187.4
[M-H]- 331.181594 187.7
[M+NH4]+ 350.222693 194.2
[M+K]+ 371.152028 184.0
[M+H-H2O]+ 315.186130 172.7
[M+HCOO]- 377.187071 195.1
[M+CH3COO]- 391.202721 190.4
[M+Na-2H]- 353.163536 184.4
[M]+ 332.18832142 175.3
[M]- 332.18941858 175.3
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.