CID 24212889

853334-03-9

Structural Information

Molecular Formula
C22H18N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2C=CC(=C3)C#N)C(=O)OC)C(=O)OC)OC
InChI
InChI=1S/C22H18N2O7/c1-28-15-6-5-13(10-16(15)29-2)20(25)19-18(22(27)31-4)17(21(26)30-3)14-9-12(11-23)7-8-24(14)19/h5-10H,1-4H3
InChIKey
LWHWEOBQMFOOEW-UHFFFAOYSA-N
Compound name
dimethyl 7-cyano-3-(3,4-dimethoxybenzoyl)indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1114 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11868 199.2
[M+Na]+ 445.10062 210.1
[M-H]- 421.10412 204.6
[M+NH4]+ 440.14522 209.1
[M+K]+ 461.07456 206.2
[M+H-H2O]+ 405.10866 184.0
[M+HCOO]- 467.10960 216.2
[M+CH3COO]- 481.12525 235.3
[M+Na-2H]- 443.08607 196.9
[M]+ 422.11085 203.6
[M]- 422.11195 203.6
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.