CID 11491176

Mk-0557

Structural Information

Molecular Formula
C22H19FN4O3
SMILES
C1CC2(CCC1C(=O)NC3=NN(C=C3)C4=CC=CC=C4F)C5=C(C=CN=C5)C(=O)O2
InChI
InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)
InChIKey
RMYZIRFUCOMQRH-UHFFFAOYSA-N
Compound name
N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

373
Patents

406.1441 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15138 195.2
[M+Na]+ 429.13332 206.8
[M+NH4]+ 424.17792 202.4
[M+K]+ 445.10726 202.4
[M-H]- 405.13682 200.2
[M+Na-2H]- 427.11877 201.9
[M]+ 406.14355 198.1
[M]- 406.14465 198.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe