CID 134385199

2212021-59-3

Structural Information

Molecular Formula
C20H27FN4O2
SMILES
C[C@H]1C2=C(N(N=C2CCN1C(=O)OC(C)(C)C)C3=CC(=C(C(=C3)C)F)C)N
InChI
InChI=1S/C20H27FN4O2/c1-11-9-14(10-12(2)17(11)21)25-18(22)16-13(3)24(8-7-15(16)23-25)19(26)27-20(4,5)6/h9-10,13H,7-8,22H2,1-6H3/t13-/m0/s1
InChIKey
JPVNBRWFGNCDLO-ZDUSSCGKSA-N
Compound name
tert-butyl (4S)-3-amino-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

374.2118 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21908 193.9
[M+Na]+ 397.20102 204.2
[M+NH4]+ 392.24562 198.6
[M+K]+ 413.17496 201.3
[M-H]- 373.20452 194.0
[M+Na-2H]- 395.18647 195.7
[M]+ 374.21125 195.2
[M]- 374.21235 195.2
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