CID 122173570

1313054-84-0

Structural Information

Molecular Formula
C26H25NO5
SMILES
C1=CC=C(C=C1)COC[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c28-25(29)14-19(16-31-15-18-8-2-1-3-9-18)27-26(30)32-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)/t19-/m0/s1
InChIKey
OMMNYBSSWUOTET-IBGZPJMESA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.17328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 203.2
[M+Na]+ 454.16250 206.0
[M-H]- 430.16600 209.2
[M+NH4]+ 449.20710 214.4
[M+K]+ 470.13644 201.7
[M+H-H2O]+ 414.17054 194.2
[M+HCOO]- 476.17148 221.2
[M+CH3COO]- 490.18713 228.1
[M+Na-2H]- 452.14795 203.9
[M]+ 431.17273 206.2
[M]- 431.17383 206.2
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.