CID 78210288

Jtt-251

Structural Information

Molecular Formula
C26H28F3N3O4
SMILES
CC(C)(CCOC1=CC(=C2C3=CC=CC=C3[C@@](C2=C1)(C(F)(F)F)O)C4=CN(N=C4)C(C)(C)C(=O)N)O
InChI
InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1
InChIKey
KNPYQCPWTWANOG-RUZDIDTESA-N
Compound name
2-[4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

503.2032 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.21048 212.2
[M+Na]+ 526.19242 217.1
[M+NH4]+ 521.23702 214.9
[M+K]+ 542.16636 216.6
[M-H]- 502.19592 207.4
[M+Na-2H]- 524.17787 213.3
[M]+ 503.20265 211.2
[M]- 503.20375 211.2
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