CID 15958170

(2r)-2-cyclohexyl-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetic acid

Structural Information

Molecular Formula
C27H31FN4O3
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)N[C@H](C4CCCCC4)C(=O)O)C5=CC=C(C=C5)F
InChI
InChI=1S/C27H31FN4O3/c28-20-13-11-17(12-14-20)21-15-29-25-22(16-30-32(25)24(21)19-9-5-2-6-10-19)26(33)31-23(27(34)35)18-7-3-1-4-8-18/h11-16,18-19,23H,1-10H2,(H,31,33)(H,34,35)/t23-/m1/s1
InChIKey
OVBAYYVUHRFMFB-HSZRJFAPSA-N
Compound name
(2R)-2-cyclohexyl-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.238 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.24528 212.3
[M+Na]+ 501.22722 212.9
[M-H]- 477.23072 217.5
[M+NH4]+ 496.27182 215.7
[M+K]+ 517.20116 206.4
[M+H-H2O]+ 461.23526 198.8
[M+HCOO]- 523.23620 220.2
[M+CH3COO]- 537.25185 216.3
[M+Na-2H]- 499.21267 207.5
[M]+ 478.23745 203.5
[M]- 478.23855 203.5
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.