CID 34635

29573-86-2

Structural Information

Molecular Formula
C22H27N3O2
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)CCO
InChI
InChI=1S/C22H27N3O2/c26-16-15-23-11-13-24(14-12-23)17-22(27)25-20-7-3-1-5-18(20)9-10-19-6-2-4-8-21(19)25/h1-8,26H,9-17H2
InChIKey
DSJTUWVVAWRKRN-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 190.9
[M+Na]+ 388.19955 201.7
[M+NH4]+ 383.24415 197.2
[M+K]+ 404.17349 195.1
[M-H]- 364.20305 193.4
[M+Na-2H]- 386.18500 195.1
[M]+ 365.20978 193.1
[M]- 365.21088 193.1
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.