CID 112344

69898-42-6

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CCN1C(=C(C2=CC=CC=C21)C(=O)C3=C(C=CC=N3)C(=O)O)C
InChI
InChI=1S/C18H16N2O3/c1-3-20-11(2)15(12-7-4-5-9-14(12)20)17(21)16-13(18(22)23)8-6-10-19-16/h4-10H,3H2,1-2H3,(H,22,23)
InChIKey
HGLISOFZJUBYPD-UHFFFAOYSA-N
Compound name
2-(1-ethyl-2-methylindole-3-carbonyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

308.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.2
[M+Na]+ 331.10532 185.6
[M+NH4]+ 326.14992 177.7
[M+K]+ 347.07926 181.2
[M-H]- 307.10882 173.4
[M+Na-2H]- 329.09077 177.6
[M]+ 308.11555 173.8
[M]- 308.11665 173.8
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

patents stripe