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 181.2
[M+Na]+ 372.12062 186.8
[M-H]- 348.12412 188.6
[M+NH4]+ 367.16522 198.4
[M+K]+ 388.09456 182.4
[M+H-H2O]+ 332.12866 174.7
[M+HCOO]- 394.12960 201.4
[M+CH3COO]- 408.14525 211.9
[M+Na-2H]- 370.10607 181.2
[M]+ 349.13085 182.0
[M]- 349.13195 182.0
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.