CID 205603

18300-61-3

Structural Information

Molecular Formula
C22H27N3O
SMILES
CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C22H27N3O/c1-23-14-16-24(17-15-23)13-12-22(26)25-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)25/h2-9H,10-17H2,1H3
InChIKey
PHAWJPRNHRDNFR-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 188.0
[M+Na]+ 372.20464 199.7
[M+NH4]+ 367.24924 195.1
[M+K]+ 388.17858 192.4
[M-H]- 348.20814 191.4
[M+Na-2H]- 370.19009 193.1
[M]+ 349.21487 190.7
[M]- 349.21597 190.7
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.