CID 109082

2-pyridinecarboxylic acid, 3-((1-ethyl-2-methyl-1h-indol-3-yl)carbonyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

308.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 171.1
[M+Na]+ 331.105318 181.0
[M-H]- 307.108824 176.0
[M+NH4]+ 326.149923 185.5
[M+K]+ 347.079258 176.0
[M+H-H2O]+ 291.113360 162.8
[M+HCOO]- 353.114301 190.8
[M+CH3COO]- 367.129951 205.1
[M+Na-2H]- 329.090766 172.8
[M]+ 308.11555142 174.9
[M]- 308.11664858 174.9
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