CID 3051717

3-(methoxy-3-pyridinylmethyl)-1-methyl-1h-indole-2-carboxylic acid monohydrochloride

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CN=CC=C3)OC
InChI
InChI=1S/C17H16N2O3/c1-19-13-8-4-3-7-12(13)14(15(19)17(20)21)16(22-2)11-6-5-9-18-10-11/h3-10,16H,1-2H3,(H,20,21)
InChIKey
GJLYNTLZPABJPA-UHFFFAOYSA-N
Compound name
3-[methoxy(pyridin-3-yl)methyl]-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 167.5
[M+Na]+ 319.105318 176.7
[M-H]- 295.108824 172.2
[M+NH4]+ 314.149923 182.2
[M+K]+ 335.079258 172.5
[M+H-H2O]+ 279.113360 159.1
[M+HCOO]- 341.114301 187.5
[M+CH3COO]- 355.129951 201.7
[M+Na-2H]- 317.090766 170.5
[M]+ 296.11555142 171.3
[M]- 296.11664858 171.3
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.