CID 514294

3-(3-furyl)-1-methyl-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C19H14N2O3
SMILES
CN1C(=C(C2=C1N=C(C=C2)C(=O)O)C3=COC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O3/c1-21-17(12-5-3-2-4-6-12)16(13-9-10-24-11-13)14-7-8-15(19(22)23)20-18(14)21/h2-11H,1H3,(H,22,23)
InChIKey
SEOISJUKOJHNBF-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-1-methyl-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10771 172.0
[M+Na]+ 341.08965 182.8
[M-H]- 317.09315 181.4
[M+NH4]+ 336.13425 186.2
[M+K]+ 357.06359 178.5
[M+H-H2O]+ 301.09769 164.0
[M+HCOO]- 363.09863 193.5
[M+CH3COO]- 377.11428 184.5
[M+Na-2H]- 339.07510 173.9
[M]+ 318.09988 176.4
[M]- 318.10098 176.4
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.