CID 135483822

2-methyl-3-carbethoxy-4-(2,4-dinitrophenylhydrazono)-5-hydroxypyrrole

Structural Information

Molecular Formula
C15H15N5O7
SMILES
CCOC(=O)C1=C(NC(=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)C
InChI
InChI=1S/C15H15N5O7/c1-3-27-15(22)13-8(2)17-14(21)10(13)7-16-18-11-5-4-9(19(23)24)6-12(11)20(25)26/h4-7,17-18,21H,3H2,1-2H3/b16-7+
InChIKey
SQFNCZGXVVAKCD-FRKPEAEDSA-N
Compound name
ethyl 4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09714 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10442 181.3
[M+Na]+ 400.08636 184.6
[M-H]- 376.08986 186.0
[M+NH4]+ 395.13096 189.8
[M+K]+ 416.06030 173.7
[M+H-H2O]+ 360.09440 181.1
[M+HCOO]- 422.09534 205.7
[M+CH3COO]- 436.11099 207.3
[M+Na-2H]- 398.07181 187.3
[M]+ 377.09659 178.6
[M]- 377.09769 178.6
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.