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 187.1
[M+Na]+ 375.16790 195.9
[M-H]- 351.17140 191.6
[M+NH4]+ 370.21250 199.9
[M+K]+ 391.14184 191.0
[M+H-H2O]+ 335.17594 178.6
[M+HCOO]- 397.17688 204.9
[M+CH3COO]- 411.19253 214.2
[M+Na-2H]- 373.15335 189.2
[M]+ 352.17813 192.6
[M]- 352.17923 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