CID 3059434

Propanoic acid, 2-methyl-2-((2-methyl-1-propyl-3-(4-pyridinyl)-1h-indol-5-yl)oxy)-, hydrochloride

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C3=CC=NC=C3)C
InChI
InChI=1S/C21H24N2O3/c1-5-12-23-14(2)19(15-8-10-22-11-9-15)17-13-16(6-7-18(17)23)26-21(3,4)20(24)25/h6-11,13H,5,12H2,1-4H3,(H,24,25)
InChIKey
YNUOXVUFIXKSSY-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methyl-1-propyl-3-pyridin-4-ylindol-5-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

352.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 187.1
[M+Na]+ 375.167898 195.9
[M-H]- 351.171404 191.6
[M+NH4]+ 370.212503 199.9
[M+K]+ 391.141838 191.0
[M+H-H2O]+ 335.175940 178.6
[M+HCOO]- 397.176881 204.9
[M+CH3COO]- 411.192531 214.2
[M+Na-2H]- 373.153346 189.2
[M]+ 352.17813142 192.6
[M]- 352.17922858 192.6
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