CID 3059432

Propanoic acid, 2-((3-(4-chlorophenyl)-1,2-dimethyl-1h-indol-5-yl)oxy)-2-methyl-

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
CC1=C(C2=C(N1C)C=CC(=C2)OC(C)(C)C(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20ClNO3/c1-12-18(13-5-7-14(21)8-6-13)16-11-15(9-10-17(16)22(12)4)25-20(2,3)19(23)24/h5-11H,1-4H3,(H,23,24)
InChIKey
LBOICXLDDQGHNA-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-1,2-dimethylindol-5-yl]oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.11316 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 184.2
[M+Na]+ 380.10238 195.3
[M-H]- 356.10588 190.6
[M+NH4]+ 375.14698 199.5
[M+K]+ 396.07632 189.2
[M+H-H2O]+ 340.11042 177.6
[M+HCOO]- 402.11136 199.1
[M+CH3COO]- 416.12701 213.5
[M+Na-2H]- 378.08783 185.8
[M]+ 357.11261 191.7
[M]- 357.11371 191.7
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