CID 3057865

Brn 1552266

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCN(CCCN1C(=O)CC2(C1=O)CCCC3=CC=CC=C23)CCOC
InChI
InChI=1S/C21H30N2O3/c1-3-22(14-15-26-2)12-7-13-23-19(24)16-21(20(23)25)11-6-9-17-8-4-5-10-18(17)21/h4-5,8,10H,3,6-7,9,11-16H2,1-2H3
InChIKey
FOHPUYZUAHPMNC-UHFFFAOYSA-N
Compound name
1'-[3-[ethyl(2-methoxyethyl)amino]propyl]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

358.22565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 188.0
[M+Na]+ 381.21487 192.5
[M-H]- 357.21837 193.1
[M+NH4]+ 376.25947 204.7
[M+K]+ 397.18881 188.9
[M+H-H2O]+ 341.22291 179.4
[M+HCOO]- 403.22385 205.7
[M+CH3COO]- 417.23950 220.6
[M+Na-2H]- 379.20032 188.3
[M]+ 358.22510 189.2
[M]- 358.22620 189.2
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.