CID 16213170

(2s,3r)-3-(benzyloxy)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

Structural Information

Molecular Formula
C26H25NO5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
InChI
InChI=1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m1/s1
InChIKey
UCDMMWCWPVCHLL-OSPHWJPCSA-N
Compound name
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

431.17328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.18056 203.5
[M+Na]+ 454.16250 205.9
[M-H]- 430.16600 209.5
[M+NH4]+ 449.20710 214.6
[M+K]+ 470.13644 202.3
[M+H-H2O]+ 414.17054 194.7
[M+HCOO]- 476.17148 220.4
[M+CH3COO]- 490.18713 229.0
[M+Na-2H]- 452.14795 203.0
[M]+ 431.17273 206.0
[M]- 431.17383 206.0
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