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

8
Patents

349.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 182.3
[M+Na]+ 372.120618 188.3
[M-H]- 348.124124 189.6
[M+NH4]+ 367.165223 201.3
[M+K]+ 388.094558 183.7
[M+H-H2O]+ 332.128660 175.8
[M+HCOO]- 394.129601 202.5
[M+CH3COO]- 408.145251 192.7
[M+Na-2H]- 370.106066 184.0
[M]+ 349.13085142 183.0
[M]- 349.13194858 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