CID 631414

27226-48-8

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCOC(=O)C1=C(C(=C(N1)CC2=C(C(=C(N2)C(=O)OCC)C)C)C)C
InChI
InChI=1S/C19H26N2O4/c1-7-24-18(22)16-12(5)10(3)14(20-16)9-15-11(4)13(6)17(21-15)19(23)25-8-2/h20-21H,7-9H2,1-6H3
InChIKey
OKJWYTQBIRWUFJ-UHFFFAOYSA-N
Compound name
ethyl 5-[(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.18927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 185.8
[M+Na]+ 369.17849 195.5
[M+NH4]+ 364.22309 189.5
[M+K]+ 385.15243 195.2
[M-H]- 345.18199 184.8
[M+Na-2H]- 367.16394 187.0
[M]+ 346.18872 186.5
[M]- 346.18982 186.5
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.