CID 9974504

Schembl14014930

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CC1=C(C(=NO1)C)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4
InChI
InChI=1S/C18H20N4O3/c1-10-15(11(2)25-21-10)13-8-19-17-14(18(23)24)9-20-22(17)16(13)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3,(H,23,24)
InChIKey
ZUGMOKRXYHYMAI-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.15353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 180.2
[M+Na]+ 363.14275 189.2
[M-H]- 339.14625 186.2
[M+NH4]+ 358.18735 190.8
[M+K]+ 379.11669 185.1
[M+H-H2O]+ 323.15079 170.7
[M+HCOO]- 385.15173 194.9
[M+CH3COO]- 399.16738 190.2
[M+Na-2H]- 361.12820 178.4
[M]+ 340.15298 181.4
[M]- 340.15408 181.4
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