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]+ 412.17546 194.1
[M+Na]+ 434.15740 195.4
[M-H]- 410.16090 200.1
[M+NH4]+ 429.20200 204.6
[M+K]+ 450.13134 193.8
[M+H-H2O]+ 394.16544 185.9
[M+HCOO]- 456.16638 208.1
[M+CH3COO]- 470.18203 223.1
[M+Na-2H]- 432.14285 194.5
[M]+ 411.16763 194.1
[M]- 411.16873 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.