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 183.1
[M+Na]+ 369.17849 192.2
[M-H]- 345.18199 186.3
[M+NH4]+ 364.22309 197.0
[M+K]+ 385.15243 188.1
[M+H-H2O]+ 329.18653 176.3
[M+HCOO]- 391.18747 202.3
[M+CH3COO]- 405.20312 211.4
[M+Na-2H]- 367.16394 177.4
[M]+ 346.18872 189.5
[M]- 346.18982 189.5
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.