CID 205116

Brn 1498496

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CN(C)CCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2O2/c1-19(2)8-9-20-15(21)11-17(16(20)22)7-3-4-12-5-6-13(18)10-14(12)17/h5-6,10H,3-4,7-9,11H2,1-2H3
InChIKey
OUZUZYHNUIBOPQ-UHFFFAOYSA-N
Compound name
6-chloro-1'-[2-(dimethylamino)ethyl]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

320.12915 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 174.5
[M+Na]+ 343.11837 182.8
[M-H]- 319.12187 180.6
[M+NH4]+ 338.16297 194.2
[M+K]+ 359.09231 177.6
[M+H-H2O]+ 303.12641 167.6
[M+HCOO]- 365.12735 188.9
[M+CH3COO]- 379.14300 211.4
[M+Na-2H]- 341.10382 175.5
[M]+ 320.12860 175.5
[M]- 320.12970 175.5
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.