CID 137698944

2137851-66-0

Structural Information

Molecular Formula
C24H27NO4
SMILES
C1CCC(C1)C(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-23(27)13-17(16-7-1-2-8-16)14-25-24(28)29-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,16-17,22H,1-2,7-8,13-15H2,(H,25,28)(H,26,27)
InChIKey
XZBCPXJZEQAQLM-UHFFFAOYSA-N
Compound name
3-cyclopentyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 195.9
[M+Na]+ 416.18322 197.9
[M-H]- 392.18672 201.9
[M+NH4]+ 411.22782 210.8
[M+K]+ 432.15716 193.6
[M+H-H2O]+ 376.19126 188.9
[M+HCOO]- 438.19220 212.6
[M+CH3COO]- 452.20785 220.7
[M+Na-2H]- 414.16867 193.0
[M]+ 393.19345 195.2
[M]- 393.19455 195.2
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.