CID 202982

Preparation ii

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC=C2C3(C1=O)CC(OC(C3)C)C
InChI
InChI=1S/C21H30N2O3/c1-5-22(6-2)11-12-23-19(24)17-9-7-8-10-18(17)21(20(23)25)13-15(3)26-16(4)14-21/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKey
YFYXQVNFYHKLAY-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2545
Patents

358.22565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 187.8
[M+Na]+ 381.21487 193.6
[M-H]- 357.21837 193.9
[M+NH4]+ 376.25947 201.9
[M+K]+ 397.18881 191.3
[M+H-H2O]+ 341.22291 178.8
[M+HCOO]- 403.22385 202.3
[M+CH3COO]- 417.23950 224.0
[M+Na-2H]- 379.20032 189.1
[M]+ 358.22510 188.4
[M]- 358.22620 188.4
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.