CID 132398739

2307754-15-8

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1[C@H](C[C@H]([C@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)C(=O)O
InChI
InChI=1S/C21H21NO5/c23-19-10-12(20(24)25)9-18(19)22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19,23H,9-11H2,(H,22,26)(H,24,25)/t12-,18+,19-/m1/s1
InChIKey
RFEIXJVYVWUFFW-ZUSMLRIVSA-N
Compound name
(1R,3S,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 184.1
[M+Na]+ 390.13119 188.9
[M-H]- 366.13469 190.1
[M+NH4]+ 385.17579 200.0
[M+K]+ 406.10513 184.7
[M+H-H2O]+ 350.13923 178.2
[M+HCOO]- 412.14017 201.4
[M+CH3COO]- 426.15582 213.7
[M+Na-2H]- 388.11664 182.6
[M]+ 367.14142 183.6
[M]- 367.14252 183.6
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

No patent data available for this compound.