CID 7006544

220497-61-0

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1CCC(C1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4/c24-21(25)20(14-7-1-2-8-14)23-22(26)27-13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,14,19-20H,1-2,7-8,13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
JGWHUIQSEKGLAQ-FQEVSTJZSA-N
Compound name
(2S)-2-cyclopentyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

365.16272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.0
[M+Na]+ 388.15194 195.2
[M+NH4]+ 383.19654 194.1
[M+K]+ 404.12588 193.3
[M-H]- 364.15544 189.7
[M+Na-2H]- 386.13739 189.6
[M]+ 365.16217 188.5
[M]- 365.16327 188.5
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