CID 66615361

2219369-66-9

Structural Information

Molecular Formula
C21H19NO4
SMILES
C1C=CCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19NO4/c23-19(24)21(11-5-6-12-21)22-20(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-10,18H,11-13H2,(H,22,25)(H,23,24)
InChIKey
RZFNMRYHBVHKKF-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

349.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 182.3
[M+Na]+ 372.12062 188.3
[M-H]- 348.12412 189.6
[M+NH4]+ 367.16522 201.3
[M+K]+ 388.09456 183.7
[M+H-H2O]+ 332.12866 175.8
[M+HCOO]- 394.12960 202.5
[M+CH3COO]- 408.14525 192.7
[M+Na-2H]- 370.10607 184.0
[M]+ 349.13085 183.0
[M]- 349.13195 183.0
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

patents stripe