CID 137698939

282525-06-8

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CCC(CC1)C(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)14-18(17-8-2-1-3-9-17)15-26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,17-18,23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28)
InChIKey
RCMIREQGPGLFQT-UHFFFAOYSA-N
Compound name
3-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 198.0
[M+Na]+ 430.19888 198.7
[M-H]- 406.20238 202.9
[M+NH4]+ 425.24348 210.2
[M+K]+ 446.17282 194.1
[M+H-H2O]+ 390.20692 189.6
[M+HCOO]- 452.20786 211.9
[M+CH3COO]- 466.22351 224.2
[M+Na-2H]- 428.18433 196.2
[M]+ 407.20911 195.2
[M]- 407.21021 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.