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 186.8
[M+Na]+ 388.15194 189.8
[M-H]- 364.15544 193.3
[M+NH4]+ 383.19654 202.9
[M+K]+ 404.12588 185.8
[M+H-H2O]+ 348.15998 180.1
[M+HCOO]- 410.16092 204.2
[M+CH3COO]- 424.17657 214.9
[M+Na-2H]- 386.13739 185.0
[M]+ 365.16217 185.5
[M]- 365.16327 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