CID 205128

Brn 1600593

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CN(C)CCCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)OC
InChI
InChI=1S/C20H28N2O3/c1-21(2)11-4-5-12-22-18(23)14-20(19(22)24)10-6-7-15-8-9-16(25-3)13-17(15)20/h8-9,13H,4-7,10-12,14H2,1-3H3
InChIKey
IKNRVDMKKXONSY-UHFFFAOYSA-N
Compound name
1'-[4-(dimethylamino)butyl]-6-methoxyspiro[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

344.21 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 183.1
[M+Na]+ 367.19922 189.1
[M-H]- 343.20272 188.8
[M+NH4]+ 362.24382 200.8
[M+K]+ 383.17316 185.7
[M+H-H2O]+ 327.20726 175.1
[M+HCOO]- 389.20820 201.2
[M+CH3COO]- 403.22385 218.9
[M+Na-2H]- 365.18467 183.4
[M]+ 344.20945 184.5
[M]- 344.21055 184.5
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.