CID 3059437

76469-04-0

Structural Information

Molecular Formula
C23H26FNO3
SMILES
CCCCN1C(=C(C2=C1C=CC(=C2)OC(C)(C)C(=O)O)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C23H26FNO3/c1-5-6-13-25-15(2)21(16-7-9-17(24)10-8-16)19-14-18(11-12-20(19)25)28-23(3,4)22(26)27/h7-12,14H,5-6,13H2,1-4H3,(H,26,27)
InChIKey
CFPNVZXIGIKRJJ-UHFFFAOYSA-N
Compound name
2-[1-butyl-3-(4-fluorophenyl)-2-methylindol-5-yl]oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

383.18967 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19695 194.5
[M+Na]+ 406.17889 203.4
[M-H]- 382.18239 199.0
[M+NH4]+ 401.22349 207.6
[M+K]+ 422.15283 197.8
[M+H-H2O]+ 366.18693 185.8
[M+HCOO]- 428.18787 211.8
[M+CH3COO]- 442.20352 221.3
[M+Na-2H]- 404.16434 194.3
[M]+ 383.18912 199.6
[M]- 383.19022 199.6
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