CID 54263620

2137687-50-2

Structural Information

Molecular Formula
C26H25NO4
SMILES
CC(C)(C(C1=CC=CC=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4/c1-26(2,23(24(28)29)17-10-4-3-5-11-17)27-25(30)31-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22-23H,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKey
RFFHDMSVOGQLQI-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-2-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

415.17834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18562 200.1
[M+Na]+ 438.16756 211.0
[M+NH4]+ 433.21216 206.7
[M+K]+ 454.14150 206.6
[M-H]- 414.17106 203.4
[M+Na-2H]- 436.15301 205.4
[M]+ 415.17779 202.5
[M]- 415.17889 202.5
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