CID 3057857

74246-82-5

Structural Information

Molecular Formula
C20H26N2O2
SMILES
C1CCN(C1)CCCN2C(=O)CC3(C2=O)CCCC4=CC=CC=C34
InChI
InChI=1S/C20H26N2O2/c23-18-15-20(10-5-8-16-7-1-2-9-17(16)20)19(24)22(18)14-6-13-21-11-3-4-12-21/h1-2,7,9H,3-6,8,10-15H2
InChIKey
LSOCDNZZTOQGBO-UHFFFAOYSA-N
Compound name
1'-(3-pyrrolidin-1-ylpropyl)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

326.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 182.0
[M+Na]+ 349.18865 187.1
[M-H]- 325.19215 187.8
[M+NH4]+ 344.23325 199.6
[M+K]+ 365.16259 181.5
[M+H-H2O]+ 309.19669 172.7
[M+HCOO]- 371.19763 196.4
[M+CH3COO]- 385.21328 191.0
[M+Na-2H]- 347.17410 179.4
[M]+ 326.19888 176.8
[M]- 326.19998 176.8
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.