CID 103664277

2-(2,5-difluorophenyl)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)acetic acid

Structural Information

Molecular Formula
C24H19F2NO4
SMILES
CN(C(C1=C(C=CC(=C1)F)F)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H19F2NO4/c1-27(22(23(28)29)19-12-14(25)10-11-21(19)26)24(30)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,28,29)
InChIKey
RKOJNUUKSQMWAK-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1282 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.135476 199.1
[M+Na]+ 446.117418 205.2
[M-H]- 422.120924 205.0
[M+NH4]+ 441.162023 211.9
[M+K]+ 462.091358 201.0
[M+H-H2O]+ 406.125460 189.0
[M+HCOO]- 468.126401 215.9
[M+CH3COO]- 482.142051 231.0
[M+Na-2H]- 444.102866 197.2
[M]+ 423.12765142 200.2
[M]- 423.12874858 200.2
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

No patent data available for this compound.