CID 15958142

Schembl14014946

Structural Information

Molecular Formula
C19H17Cl2N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O2/c20-15-7-6-12(8-16(15)21)13-9-22-18-14(19(25)26)10-23-24(18)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,26)
InChIKey
YCLRBOUYXLPTAC-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.0698 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07708 188.0
[M+Na]+ 412.05902 197.6
[M-H]- 388.06252 192.7
[M+NH4]+ 407.10362 198.6
[M+K]+ 428.03296 189.5
[M+H-H2O]+ 372.06706 177.9
[M+HCOO]- 434.06800 193.7
[M+CH3COO]- 448.08365 196.7
[M+Na-2H]- 410.04447 187.3
[M]+ 389.06925 189.5
[M]- 389.07035 189.5
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

patents stripe