CID 3058829

75639-63-3

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCN(CC)CCCCN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2
InChI
InChI=1S/C21H30N2O2/c1-3-22(4-2)13-7-8-14-23-19(24)16-21(20(23)25)12-11-17-9-5-6-10-18(17)15-21/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3
InChIKey
XTKWBPODGLIRHL-UHFFFAOYSA-N
Compound name
1'-[4-(diethylamino)butyl]spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 185.3
[M+Na]+ 365.21996 190.1
[M-H]- 341.22346 190.4
[M+NH4]+ 360.26456 202.8
[M+K]+ 381.19390 185.7
[M+H-H2O]+ 325.22800 176.8
[M+HCOO]- 387.22894 202.9
[M+CH3COO]- 401.24459 218.5
[M+Na-2H]- 363.20541 185.4
[M]+ 342.23019 185.1
[M]- 342.23129 185.1
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

No patent data available for this compound.