CID 7014945

1260616-10-1

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCC(CC1)[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)14-22(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
RFPRPMKNFLDNQB-JOCHJYFZSA-N
Compound name
(3R)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

393.194 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

patents stripe