CID 978327

(r)-2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclohexylpropanoic acid

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCC(CC1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
HIJAUEZBPWTKIV-JOCHJYFZSA-N
Compound name
(2R)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

393.194 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 193.5
[M+Na]+ 416.18322 194.7
[M-H]- 392.18672 198.7
[M+NH4]+ 411.22782 206.3
[M+K]+ 432.15716 190.3
[M+H-H2O]+ 376.19126 185.3
[M+HCOO]- 438.19220 207.8
[M+CH3COO]- 452.20785 221.3
[M+Na-2H]- 414.16867 192.3
[M]+ 393.19345 190.4
[M]- 393.19455 190.4
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