CID 86810462

1354752-75-2

Structural Information

Molecular Formula
C21H19NO5
SMILES
C#CCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO5/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/h1,3-10,18-19H,11-13H2,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
RVEQAPLSYFNSJW-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-prop-2-ynoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13358 187.7
[M+Na]+ 388.11552 196.7
[M+NH4]+ 383.16012 189.9
[M+K]+ 404.08946 189.6
[M-H]- 364.11902 180.0
[M+Na-2H]- 386.10097 186.4
[M]+ 365.12575 185.6
[M]- 365.12685 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe