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]+ 353.18596 185.6
[M+Na]+ 375.16790 199.3
[M+NH4]+ 370.21250 191.7
[M+K]+ 391.14184 194.7
[M-H]- 351.17140 187.5
[M+Na-2H]- 373.15335 191.6
[M]+ 352.17813 188.1
[M]- 352.17923 188.1
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