CID 165914204

2381179-94-6

Structural Information

Molecular Formula
C23H25NO6
SMILES
C1COCCC1OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO6/c25-22(26)21(14-29-15-9-11-28-12-10-15)24-23(27)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
NSSSVLRPYBKBAZ-NRFANRHFSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxan-4-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.175456 194.1
[M+Na]+ 434.157398 195.4
[M-H]- 410.160904 200.1
[M+NH4]+ 429.202003 204.6
[M+K]+ 450.131338 193.8
[M+H-H2O]+ 394.165440 185.9
[M+HCOO]- 456.166381 208.1
[M+CH3COO]- 470.182031 223.1
[M+Na-2H]- 432.142846 194.5
[M]+ 411.16763142 194.1
[M]- 411.16872858 194.1
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.