CID 154705181

2394830-18-1

Structural Information

Molecular Formula
C23H25FN4O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=CC(=O)N4C(=N3)C(=CN4)C(=O)N5CC(C5)CF
InChI
InChI=1S/C23H25FN4O2/c24-11-15-13-27(14-15)23(30)19-12-25-28-21(29)10-20(26-22(19)28)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-10,12,15-16,25H,1-5,11,13-14H2
InChIKey
PKQHSQILXQSGCP-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

408.19617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20345 197.5
[M+Na]+ 431.18539 202.9
[M-H]- 407.18889 202.3
[M+NH4]+ 426.22999 197.9
[M+K]+ 447.15933 198.1
[M+H-H2O]+ 391.19343 179.2
[M+HCOO]- 453.19437 207.5
[M+CH3COO]- 467.21002 203.7
[M+Na-2H]- 429.17084 194.4
[M]+ 408.19562 201.0
[M]- 408.19672 201.0
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