CID 2761560

172695-33-9

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
KFDMTAMWOIQTOB-LJQANCHMSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

353.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 185.6
[M+Na]+ 376.15194 189.7
[M-H]- 352.15544 188.9
[M+NH4]+ 371.19654 200.9
[M+K]+ 392.12588 186.4
[M+H-H2O]+ 336.15998 178.8
[M+HCOO]- 398.16092 203.0
[M+CH3COO]- 412.17657 216.0
[M+Na-2H]- 374.13739 185.2
[M]+ 353.16217 187.8
[M]- 353.16327 187.8
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