CID 15958152

Schembl14014957

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=NC=C4
InChI
InChI=1S/C18H18N4O2/c23-18(24)15-11-21-22-16(13-4-2-1-3-5-13)14(10-20-17(15)22)12-6-8-19-9-7-12/h6-11,13H,1-5H2,(H,23,24)
InChIKey
DWIOCQCMWSSKPR-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.14297 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 175.6
[M+Na]+ 345.13219 182.9
[M-H]- 321.13569 179.6
[M+NH4]+ 340.17679 185.5
[M+K]+ 361.10613 176.5
[M+H-H2O]+ 305.14023 164.1
[M+HCOO]- 367.14117 190.0
[M+CH3COO]- 381.15682 184.5
[M+Na-2H]- 343.11764 178.0
[M]+ 322.14242 172.8
[M]- 322.14352 172.8
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