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

14
Patents

369.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.6
[M+Na]+ 392.14684 191.8
[M-H]- 368.15034 190.8
[M+NH4]+ 387.19144 202.2
[M+K]+ 408.12078 188.6
[M+H-H2O]+ 352.15488 180.3
[M+HCOO]- 414.15582 206.2
[M+CH3COO]- 428.17147 217.2
[M+Na-2H]- 390.13229 188.6
[M]+ 369.15707 191.8
[M]- 369.15817 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