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]+ 343.23802 184.8
[M+Na]+ 365.21996 190.4
[M-H]- 341.22346 188.9
[M+NH4]+ 360.26456 202.0
[M+K]+ 381.19390 184.7
[M+H-H2O]+ 325.22800 176.8
[M+HCOO]- 387.22894 201.9
[M+CH3COO]- 401.24459 216.4
[M+Na-2H]- 363.20541 185.1
[M]+ 342.23019 183.9
[M]- 342.23129 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.