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]+ 297.12338 167.5
[M+Na]+ 319.10532 176.7
[M-H]- 295.10882 172.2
[M+NH4]+ 314.14992 182.2
[M+K]+ 335.07926 172.5
[M+H-H2O]+ 279.11336 159.1
[M+HCOO]- 341.11430 187.5
[M+CH3COO]- 355.12995 201.7
[M+Na-2H]- 317.09077 170.5
[M]+ 296.11555 171.3
[M]- 296.11665 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.