CID 203594

Trans-1-(3-(4-methylpiperazino)propoxy)-2-benzylindane dioxalate

Structural Information

Molecular Formula
C24H32N2O
SMILES
CN1CCN(CC1)CCCO[C@H]2[C@@H](CC3=CC=CC=C23)CC4=CC=CC=C4
InChI
InChI=1S/C24H32N2O/c1-25-13-15-26(16-14-25)12-7-17-27-24-22(18-20-8-3-2-4-9-20)19-21-10-5-6-11-23(21)24/h2-6,8-11,22,24H,7,12-19H2,1H3/t22-,24+/m1/s1
InChIKey
LGYTVIFYFMVWJO-VWNXMTODSA-N
Compound name
1-[3-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]propyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 193.1
[M+Na]+ 387.24068 196.3
[M-H]- 363.24418 199.0
[M+NH4]+ 382.28528 204.8
[M+K]+ 403.21462 189.8
[M+H-H2O]+ 347.24872 181.6
[M+HCOO]- 409.24966 207.5
[M+CH3COO]- 423.26531 200.7
[M+Na-2H]- 385.22613 191.7
[M]+ 364.25091 190.0
[M]- 364.25201 190.0
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.