CID 137952340

2219407-86-8

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 154.3
[M+Na]+ 272.06417 164.9
[M+NH4]+ 267.10877 159.3
[M+K]+ 288.03811 163.8
[M-H]- 248.06767 154.7
[M+Na-2H]- 270.04962 158.7
[M]+ 249.07440 155.5
[M]- 249.07550 155.5
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.