CID 154726497

2171190-15-9

Structural Information

Molecular Formula
C21H23NO6
SMILES
COCCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO6/c1-26-10-11-27-13-19(20(23)24)22-21(25)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-13H2,1H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
BSRFKEJZYVPXEN-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 190.2
[M+Na]+ 408.14175 198.5
[M+NH4]+ 403.18635 195.4
[M+K]+ 424.11569 195.5
[M-H]- 384.14525 190.2
[M+Na-2H]- 406.12720 191.6
[M]+ 385.15198 190.9
[M]- 385.15308 190.9
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.