CID 135483818

2-methyl-3-carbethoxy-4-methylene-(4-nitrophenylamino)-5-hydroxypyrrole

Structural Information

Molecular Formula
C15H15N3O5
SMILES
CCOC(=O)C1=C(NC(=C1C=NC2=CC=C(C=C2)[N+](=O)[O-])O)C
InChI
InChI=1S/C15H15N3O5/c1-3-23-15(20)13-9(2)17-14(19)12(13)8-16-10-4-6-11(7-5-10)18(21)22/h4-8,17,19H,3H2,1-2H3
InChIKey
WAWLJCDMVPRZIY-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-2-methyl-4-[(4-nitrophenyl)iminomethyl]-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10117 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 170.5
[M+Na]+ 340.09039 176.8
[M-H]- 316.09389 175.4
[M+NH4]+ 335.13499 183.5
[M+K]+ 356.06433 169.4
[M+H-H2O]+ 300.09843 167.0
[M+HCOO]- 362.09937 194.4
[M+CH3COO]- 376.11502 199.7
[M+Na-2H]- 338.07584 173.8
[M]+ 317.10062 170.6
[M]- 317.10172 170.6
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.