CID 137952340

Methyl 2-amino-6-(2,5-dihydroxy-1h-pyrrol-1-yl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C11H11N3O4
SMILES
COC(=O)C1=C(N=C(C=C1)N2C(=CC=C2O)O)N
InChI
InChI=1S/C11H11N3O4/c1-18-11(17)6-2-3-7(13-10(6)12)14-8(15)4-5-9(14)16/h2-5,15-16H,1H3,(H2,12,13)
InChIKey
BWLOOANJJIRJOF-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-(2,5-dihydroxypyrrol-1-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07495 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08223 152.7
[M+Na]+ 272.06417 162.0
[M-H]- 248.06767 155.3
[M+NH4]+ 267.10877 167.5
[M+K]+ 288.03811 158.9
[M+H-H2O]+ 232.07221 145.2
[M+HCOO]- 294.07315 173.7
[M+CH3COO]- 308.08880 190.5
[M+Na-2H]- 270.04962 154.5
[M]+ 249.07440 153.0
[M]- 249.07550 153.0
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.