CID 283489

Nsc138332

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CCOC(=O)C1(COC(=O)C1CN2CC3=CC4=CC=CC=C4N=C3C2)C(=O)OCC
InChI
InChI=1S/C22H24N2O6/c1-3-28-20(26)22(21(27)29-4-2)13-30-19(25)16(22)11-24-10-15-9-14-7-5-6-8-17(14)23-18(15)12-24/h5-9,16H,3-4,10-13H2,1-2H3
InChIKey
BLDTXTRDWMDXGV-UHFFFAOYSA-N
Compound name
diethyl 4-(1,3-dihydropyrrolo[3,4-b]quinolin-2-ylmethyl)-5-oxooxolane-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

412.16342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 196.4
[M+Na]+ 435.15264 202.8
[M-H]- 411.15614 202.8
[M+NH4]+ 430.19724 210.0
[M+K]+ 451.12658 200.9
[M+H-H2O]+ 395.16068 188.8
[M+HCOO]- 457.16162 210.7
[M+CH3COO]- 471.17727 222.7
[M+Na-2H]- 433.13809 195.0
[M]+ 412.16287 201.6
[M]- 412.16397 201.6
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.