CID 3042817

Homopipramol fumarate

Structural Information

Molecular Formula
C24H31N3O
SMILES
C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C24H31N3O/c28-20-19-26-14-5-13-25(17-18-26)15-6-16-27-23-9-3-1-7-21(23)11-12-22-8-2-4-10-24(22)27/h1-4,7-12,28H,5-6,13-20H2
InChIKey
AXJPNVUUDXTSOL-UHFFFAOYSA-N
Compound name
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

377.2467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 198.5
[M+Na]+ 400.23592 206.2
[M+NH4]+ 395.28052 203.3
[M+K]+ 416.20986 200.6
[M-H]- 376.23942 200.7
[M+Na-2H]- 398.22137 201.7
[M]+ 377.24615 200.3
[M]- 377.24725 200.3
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

patents stripe