CID 137698946

1-methyl-5-phenyl-1h-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CN1C=C(C2=C1C=CC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-17-9-11(15(18)19)14-13(17)8-7-12(16-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKey
YADDXDHBEBZVQP-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpyrrolo[3,2-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.7
[M+Na]+ 275.07909 171.2
[M+NH4]+ 270.12369 163.7
[M+K]+ 291.05303 166.0
[M-H]- 251.08259 158.8
[M+Na-2H]- 273.06454 164.0
[M]+ 252.08932 158.8
[M]- 252.09042 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.