CID 98859

30120-86-6

Structural Information

Molecular Formula
C24H32N2O
SMILES
C1CCN(C1)CCC(CCN2CCCC2)(C=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H32N2O/c27-20-24(12-18-25-14-3-4-15-25,13-19-26-16-5-6-17-26)23-11-7-9-21-8-1-2-10-22(21)23/h1-2,7-11,20H,3-6,12-19H2
InChIKey
FJSXLZSHSCDUNZ-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-4-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 193.7
[M+Na]+ 387.24068 195.5
[M-H]- 363.24418 199.5
[M+NH4]+ 382.28528 206.8
[M+K]+ 403.21462 189.6
[M+H-H2O]+ 347.24872 183.4
[M+HCOO]- 409.24966 207.6
[M+CH3COO]- 423.26531 201.1
[M+Na-2H]- 385.22613 191.7
[M]+ 364.25091 189.6
[M]- 364.25201 189.6
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.