CID 75409950

2381842-52-8

Structural Information

Molecular Formula
C23H24N2O6
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC=C
InChI
InChI=1S/C23H24N2O6/c1-3-12-30-22(28)24-14(2)20(21(26)27)25-23(29)31-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,14,19-20H,1,12-13H2,2H3,(H,24,28)(H,25,29)(H,26,27)/t14-,20+/m1/s1
InChIKey
IFXXIYKRKUGABN-VLIAUNLRSA-N
Compound name
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

424.16342 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17070 199.3
[M+Na]+ 447.15264 205.2
[M+NH4]+ 442.19724 202.8
[M+K]+ 463.12658 203.8
[M-H]- 423.15614 198.5
[M+Na-2H]- 445.13809 199.2
[M]+ 424.16287 199.1
[M]- 424.16397 199.1
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