CID 213151

Brn 0437872

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]+ 333.19615 182.1
[M+Na]+ 355.17809 187.4
[M-H]- 331.18159 187.7
[M+NH4]+ 350.22269 194.2
[M+K]+ 371.15203 184.0
[M+H-H2O]+ 315.18613 172.7
[M+HCOO]- 377.18707 195.1
[M+CH3COO]- 391.20272 190.4
[M+Na-2H]- 353.16354 184.4
[M]+ 332.18832 175.3
[M]- 332.18942 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.