CID 3059303

76311-51-8

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCCNCCCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)C
InChI
InChI=1S/C21H30N2O2/c1-3-11-22-12-4-5-13-23-19(24)15-21(20(23)25)10-6-7-17-9-8-16(2)14-18(17)21/h8-9,14,22H,3-7,10-13,15H2,1-2H3
InChIKey
NLPDXBWXUAWYLP-UHFFFAOYSA-N
Compound name
6-methyl-1'-[4-(propylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 184.8
[M+Na]+ 365.219958 190.4
[M-H]- 341.223464 188.9
[M+NH4]+ 360.264563 202.0
[M+K]+ 381.193898 184.7
[M+H-H2O]+ 325.228000 176.8
[M+HCOO]- 387.228941 201.9
[M+CH3COO]- 401.244591 216.4
[M+Na-2H]- 363.205406 185.1
[M]+ 342.23019142 183.9
[M]- 342.23128858 183.9
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.