CID 173268

Rac 421-ii hydrochloride

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCNCCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C18H24N2O2/c1-2-19-11-6-12-20-16(21)13-18(17(20)22)10-5-8-14-7-3-4-9-15(14)18/h3-4,7,9,19H,2,5-6,8,10-13H2,1H3
InChIKey
NNCLGAIWSCXVEX-UHFFFAOYSA-N
Compound name
1'-[3-(ethylamino)propyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 171.6
[M+Na]+ 323.172998 177.7
[M-H]- 299.176504 176.0
[M+NH4]+ 318.217603 190.3
[M+K]+ 339.146938 172.7
[M+H-H2O]+ 283.181040 163.8
[M+HCOO]- 345.181981 189.9
[M+CH3COO]- 359.197631 206.2
[M+Na-2H]- 321.158446 174.1
[M]+ 300.18323142 169.3
[M]- 300.18432858 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.