CID 2756095

2-(1-(((((9h-fluoren-9-yl)methoxy)carbonyl)amino)methyl)cyclohexyl)acetic acid

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCC(CC1)(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-22(27)14-24(12-6-1-7-13-24)16-25-23(28)29-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-5,8-11,21H,1,6-7,12-16H2,(H,25,28)(H,26,27)
InChIKey
JQJOWILVGOJWJF-UHFFFAOYSA-N
Compound name
2-[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

393.194 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 195.0
[M+Na]+ 416.18322 197.8
[M-H]- 392.18672 200.4
[M+NH4]+ 411.22782 210.0
[M+K]+ 432.15716 192.8
[M+H-H2O]+ 376.19126 186.8
[M+HCOO]- 438.19220 210.3
[M+CH3COO]- 452.20785 219.8
[M+Na-2H]- 414.16867 195.9
[M]+ 393.19345 192.8
[M]- 393.19455 192.8
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