CID 3057841

74246-72-3

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN(C)CCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23
InChI
InChI=1S/C17H22N2O2/c1-18(2)10-11-19-15(20)12-17(16(19)21)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8H,5,7,9-12H2,1-2H3
InChIKey
BKYNOLGHFIWUAV-UHFFFAOYSA-N
Compound name
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

286.16812 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.2
[M+Na]+ 309.15734 173.8
[M-H]- 285.16084 173.2
[M+NH4]+ 304.20194 187.1
[M+K]+ 325.13128 170.4
[M+H-H2O]+ 269.16538 159.5
[M+HCOO]- 331.16632 186.3
[M+CH3COO]- 345.18197 206.6
[M+Na-2H]- 307.14279 169.4
[M]+ 286.16757 165.8
[M]- 286.16867 165.8
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.