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 197.2
[M+Na]+ 400.23592 203.2
[M-H]- 376.23942 201.9
[M+NH4]+ 395.28052 205.3
[M+K]+ 416.20986 200.2
[M+H-H2O]+ 360.24396 188.6
[M+HCOO]- 422.24490 207.4
[M+CH3COO]- 436.26055 203.1
[M+Na-2H]- 398.22137 199.0
[M]+ 377.24615 191.1
[M]- 377.24725 191.1
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

patents stripe