CID 90471102

224173-50-6

Structural Information

Molecular Formula
C21H19N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CN4C=CC=N4)C(=O)O
InChI
InChI=1S/C21H19N3O4/c25-20(26)19(12-24-11-5-10-22-24)23-21(27)28-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19H,12-13H2,(H,23,27)(H,25,26)
InChIKey
LFIMKADLAIDVGC-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyrazol-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.13754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 187.9
[M+Na]+ 400.12676 197.7
[M+NH4]+ 395.17136 193.5
[M+K]+ 416.10070 196.3
[M-H]- 376.13026 189.5
[M+Na-2H]- 398.11221 191.7
[M]+ 377.13699 189.3
[M]- 377.13809 189.3
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.