CID 139266790

Cbp 307; cbp307

Structural Information

Molecular Formula
C24H26FN3O3
SMILES
CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC(=C(C=C3)CNC4CC(C4)C(=O)O)F
InChI
InChI=1S/C24H26FN3O3/c1-14(2)9-15-3-5-16(6-4-15)23-27-22(28-31-23)17-7-8-18(21(25)12-17)13-26-20-10-19(11-20)24(29)30/h3-8,12,14,19-20,26H,9-11,13H2,1-2H3,(H,29,30)
InChIKey
JNFXMFRSTYONCX-UHFFFAOYSA-N
Compound name
3-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.19583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20311 207.8
[M+Na]+ 446.18505 214.9
[M+NH4]+ 441.22965 208.4
[M+K]+ 462.15899 212.3
[M-H]- 422.18855 210.0
[M+Na-2H]- 444.17050 210.5
[M]+ 423.19528 208.0
[M]- 423.19638 208.0
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.