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 189.7
[M+Na]+ 408.14175 193.5
[M-H]- 384.14525 192.8
[M+NH4]+ 403.18635 203.4
[M+K]+ 424.11569 191.2
[M+H-H2O]+ 368.14979 182.2
[M+HCOO]- 430.15073 208.4
[M+CH3COO]- 444.16638 219.4
[M+Na-2H]- 406.12720 191.0
[M]+ 385.15198 195.3
[M]- 385.15308 195.3
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.