CID 127239803

Rac-(1r,2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C22H23NO4
SMILES
C[C@@]1(CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c1-22(12-6-11-19(22)20(24)25)23-21(26)27-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3,(H,23,26)(H,24,25)/t19-,22-/m0/s1
InChIKey
KCDAUUVKWKWDAC-UGKGYDQZSA-N
Compound name
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 187.5
[M+Na]+ 388.151938 193.0
[M-H]- 364.155444 194.6
[M+NH4]+ 383.196543 206.1
[M+K]+ 404.125878 188.4
[M+H-H2O]+ 348.159980 181.3
[M+HCOO]- 410.160921 205.9
[M+CH3COO]- 424.176571 214.7
[M+Na-2H]- 386.137386 187.3
[M]+ 365.16217142 187.6
[M]- 365.16326858 187.6
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.