CID 6450819

Tiplaxtinin

Structural Information

Molecular Formula
C24H16F3NO4
SMILES
C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O
InChI
InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
InChIKey
ODXQFEWQSHNQNI-UHFFFAOYSA-N
Compound name
2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

263
Patents

439.10315 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.11043 201.5
[M+Na]+ 462.09237 210.0
[M-H]- 438.09587 206.5
[M+NH4]+ 457.13697 210.8
[M+K]+ 478.06631 203.7
[M+H-H2O]+ 422.10041 189.5
[M+HCOO]- 484.10135 216.8
[M+CH3COO]- 498.11700 226.1
[M+Na-2H]- 460.07782 201.5
[M]+ 439.10260 201.8
[M]- 439.10370 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

literature stripe

Patent stripe

patents stripe