CID 3057861

Brn 1499977

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CN(CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23)CCO
InChI
InChI=1S/C19H26N2O3/c1-20(12-13-22)10-5-11-21-17(23)14-19(18(21)24)9-4-7-15-6-2-3-8-16(15)19/h2-3,6,8,22H,4-5,7,9-14H2,1H3
InChIKey
LRLKAUMICHBHGZ-UHFFFAOYSA-N
Compound name
1'-[3-[2-hydroxyethyl(methyl)amino]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

330.19434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 179.2
[M+Na]+ 353.18356 184.2
[M-H]- 329.18706 183.3
[M+NH4]+ 348.22816 196.4
[M+K]+ 369.15750 180.2
[M+H-H2O]+ 313.19160 171.3
[M+HCOO]- 375.19254 196.2
[M+CH3COO]- 389.20819 212.3
[M+Na-2H]- 351.16901 180.2
[M]+ 330.19379 178.0
[M]- 330.19489 178.0
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.