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]+ 366.217606 189.6
[M+Na]+ 388.199548 193.1
[M-H]- 364.203054 192.3
[M+NH4]+ 383.244153 198.2
[M+K]+ 404.173488 190.7
[M+H-H2O]+ 348.207590 178.8
[M+HCOO]- 410.208531 199.0
[M+CH3COO]- 424.224181 196.0
[M+Na-2H]- 386.184996 191.5
[M]+ 365.20978142 182.6
[M]- 365.21087858 182.6
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.