CID 7176370

2219354-02-4

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CCC(CC1)C[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)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)/t18-/m1/s1
InChIKey
RXBITLXZMVCYKD-GOSISDBHSA-N
Compound name
(3R)-4-cyclohexyl-3-(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

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.216936 198.0
[M+Na]+ 430.198878 198.7
[M-H]- 406.202384 202.9
[M+NH4]+ 425.243483 210.2
[M+K]+ 446.172818 194.1
[M+H-H2O]+ 390.206920 189.6
[M+HCOO]- 452.207861 211.9
[M+CH3COO]- 466.223511 224.2
[M+Na-2H]- 428.184326 196.2
[M]+ 407.20911142 195.2
[M]- 407.21020858 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.