CID 2756176

359586-64-4

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C[C@@H]([C@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24)/t17-,19-/m0/s1
InChIKey
KTLDVIJVCPIJCM-HKUYNNGSSA-N
Compound name
(1S,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

351.14706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.9
[M+Na]+ 374.13628 192.0
[M+NH4]+ 369.18088 190.3
[M+K]+ 390.11022 189.8
[M-H]- 350.13978 185.9
[M+Na-2H]- 372.12173 185.9
[M]+ 351.14651 184.7
[M]- 351.14761 184.7
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