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

104
Patents

365.16272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 186.8
[M+Na]+ 388.151938 189.8
[M-H]- 364.155444 193.3
[M+NH4]+ 383.196543 202.9
[M+K]+ 404.125878 185.8
[M+H-H2O]+ 348.159980 180.1
[M+HCOO]- 410.160921 204.2
[M+CH3COO]- 424.176571 214.9
[M+Na-2H]- 386.137386 185.0
[M]+ 365.16217142 185.5
[M]- 365.16326858 185.5
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