CID 137628699

2255321-09-4

Structural Information

Molecular Formula
C21H23NO5
SMILES
CCCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO5/c1-2-11-26-13-19(20(23)24)22-21(25)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,2,11-13H2,1H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
ZMBUQXDXHBJSFD-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

369.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.164896 187.6
[M+Na]+ 392.146838 191.8
[M-H]- 368.150344 190.8
[M+NH4]+ 387.191443 202.2
[M+K]+ 408.120778 188.6
[M+H-H2O]+ 352.154880 180.3
[M+HCOO]- 414.155821 206.2
[M+CH3COO]- 428.171471 217.2
[M+Na-2H]- 390.132286 188.6
[M]+ 369.15707142 191.8
[M]- 369.15816858 191.8
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