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]+ 253.097146 155.3
[M+Na]+ 275.079088 166.1
[M-H]- 251.082594 160.3
[M+NH4]+ 270.123693 172.1
[M+K]+ 291.053028 161.0
[M+H-H2O]+ 235.087130 147.3
[M+HCOO]- 297.088071 176.8
[M+CH3COO]- 311.103721 168.2
[M+Na-2H]- 273.064536 160.4
[M]+ 252.08932142 157.7
[M]- 252.09041858 157.7
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.