CID 7010010

266359-48-2

Structural Information

Molecular Formula
C21H23NO4S
SMILES
CSCC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4S/c1-27-11-10-14(12-20(23)24)22-21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKey
XYWOGXWKXWWADY-AWEZNQCLSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylsulfanylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13477 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14205 190.1
[M+Na]+ 408.12399 198.8
[M+NH4]+ 403.16859 196.8
[M+K]+ 424.09793 192.7
[M-H]- 384.12749 191.3
[M+Na-2H]- 406.10944 192.2
[M]+ 385.13422 191.9
[M]- 385.13532 191.9
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.