CID 10314111

Schembl14014967

Structural Information

Molecular Formula
C17H17N5O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CN=CN=C4
InChI
InChI=1S/C17H17N5O2/c23-17(24)14-9-21-22-15(11-4-2-1-3-5-11)13(8-20-16(14)22)12-6-18-10-19-7-12/h6-11H,1-5H2,(H,23,24)
InChIKey
SOSGNXHMQLTYIC-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

323.1382 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 175.8
[M+Na]+ 346.12742 183.5
[M-H]- 322.13092 178.6
[M+NH4]+ 341.17202 184.3
[M+K]+ 362.10136 177.1
[M+H-H2O]+ 306.13546 163.8
[M+HCOO]- 368.13640 189.2
[M+CH3COO]- 382.15205 184.4
[M+Na-2H]- 344.11287 178.7
[M]+ 323.13765 173.2
[M]- 323.13875 173.2
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