CID 6449427

121661-23-2

Structural Information

Molecular Formula
C25H26FNO4
SMILES
CC(C)C1=NC2=CC=CC=C2C(=C1/C=C/C(CC(CC(=O)O)O)O)C3=CC=CC=C3F
InChI
InChI=1S/C25H26FNO4/c1-15(2)25-20(12-11-16(28)13-17(29)14-23(30)31)24(18-7-3-5-9-21(18)26)19-8-4-6-10-22(19)27-25/h3-12,15-17,28-29H,13-14H2,1-2H3,(H,30,31)/b12-11+
InChIKey
GIESFIAZYRAZAY-VAWYXSNFSA-N
Compound name
(E)-7-[4-(2-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1846 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19188 203.0
[M+Na]+ 446.17382 207.2
[M-H]- 422.17732 203.2
[M+NH4]+ 441.21842 210.1
[M+K]+ 462.14776 201.1
[M+H-H2O]+ 406.18186 193.1
[M+HCOO]- 468.18280 213.3
[M+CH3COO]- 482.19845 225.2
[M+Na-2H]- 444.15927 199.2
[M]+ 423.18405 201.8
[M]- 423.18515 201.8
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

No patent data available for this compound.