CID 33746822

914082-67-0

Structural Information

Molecular Formula
C23H20F3NO4
SMILES
C1C2(CC1(C2)C(F)(F)F)[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H20F3NO4/c24-23(25,26)22-10-21(11-22,12-22)18(19(28)29)27-20(30)31-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,27,30)(H,28,29)/t18-,21?,22?/m1/s1
InChIKey
SGSMDMJQEGMXNE-OSFYOIPJSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13443 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.14171 224.8
[M+Na]+ 454.12365 225.2
[M-H]- 430.12715 226.4
[M+NH4]+ 449.16825 223.8
[M+K]+ 470.09759 228.9
[M+H-H2O]+ 414.13169 206.4
[M+HCOO]- 476.13263 228.5
[M+CH3COO]- 490.14828 242.7
[M+Na-2H]- 452.10910 223.4
[M]+ 431.13388 246.3
[M]- 431.13498 246.3
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.