CID 224843

2,2'-methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)

Structural Information

Molecular Formula
C23H30N2O8
SMILES
CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC
InChI
InChI=1S/C23H30N2O8/c1-7-30-20(26)16-12(5)18(22(28)32-9-3)24-14(16)11-15-17(21(27)31-8-2)13(6)19(25-15)23(29)33-10-4/h24-25H,7-11H2,1-6H3
InChIKey
WVKWZKUHEZIQNO-UHFFFAOYSA-N
Compound name
diethyl 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20023 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.20751 207.0
[M+Na]+ 485.18945 213.1
[M-H]- 461.19295 209.9
[M+NH4]+ 480.23405 215.4
[M+K]+ 501.16339 211.4
[M+H-H2O]+ 445.19749 199.7
[M+HCOO]- 507.19843 223.9
[M+CH3COO]- 521.21408 230.9
[M+Na-2H]- 483.17490 198.4
[M]+ 462.19968 217.6
[M]- 462.20078 217.6
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.