CID 11609936

1h-pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl ester, 2-[[(1e)-(5-nitro-2-furanyl)methylene]hydrazide]

Structural Information

Molecular Formula
C15H16N4O6
SMILES
CCOC(=O)C1=C(NC(=C1C)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C15H16N4O6/c1-4-24-15(21)12-8(2)13(17-9(12)3)14(20)18-16-7-10-5-6-11(25-10)19(22)23/h5-7,17H,4H2,1-3H3,(H,18,20)/b16-7+
InChIKey
DOIUMTBHDMDJQL-FRKPEAEDSA-N
Compound name
ethyl 2,4-dimethyl-5-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoyl]-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11428 179.0
[M+Na]+ 371.09622 185.1
[M-H]- 347.09972 186.6
[M+NH4]+ 366.14082 191.4
[M+K]+ 387.07016 180.0
[M+H-H2O]+ 331.10426 175.5
[M+HCOO]- 393.10520 205.7
[M+CH3COO]- 407.12085 208.8
[M+Na-2H]- 369.08167 182.1
[M]+ 348.10645 182.5
[M]- 348.10755 182.5
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.