CID 39345638

1212278-30-2

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C=C[C@@H]([C@@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19NO4/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/h1-9,11,17-19H,10,12H2,(H,22,25)(H,23,24)/t17-,19+/m1/s1
InChIKey
UNMKIEMIGPKQSA-MJGOQNOKSA-N
Compound name
(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 182.1
[M+Na]+ 372.12062 192.1
[M+NH4]+ 367.16522 189.5
[M+K]+ 388.09456 189.6
[M-H]- 348.12412 185.3
[M+Na-2H]- 370.10607 185.9
[M]+ 349.13085 184.1
[M]- 349.13195 184.1
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.