CID 3449169

131970-78-0

Structural Information

Molecular Formula
C26H36N2O8
SMILES
CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)CCN2C(=C(C(=C2C)C(=O)OCC)C(=O)OCC)C)C
InChI
InChI=1S/C26H36N2O8/c1-9-33-23(29)19-15(5)27(16(6)20(19)24(30)34-10-2)13-14-28-17(7)21(25(31)35-11-3)22(18(28)8)26(32)36-12-4/h9-14H2,1-8H3
InChIKey
LPSVSMWQRIEQQY-UHFFFAOYSA-N
Compound name
diethyl 1-[2-[3,4-bis(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

504.24716 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25444 216.5
[M+Na]+ 527.23638 224.0
[M-H]- 503.23988 222.4
[M+NH4]+ 522.28098 225.3
[M+K]+ 543.21032 223.2
[M+H-H2O]+ 487.24442 209.3
[M+HCOO]- 549.24536 235.4
[M+CH3COO]- 563.26101 246.2
[M+Na-2H]- 525.22183 206.6
[M]+ 504.24661 232.7
[M]- 504.24771 232.7
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.