CID 167740941

Ethyl 5,7-dimethyl-2-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCOC(=O)C1=C(N2C(=C(C(=N2)CC(C)C)C3=CC=CC=C3)N=C1C)C
InChI
InChI=1S/C21H25N3O2/c1-6-26-21(25)18-14(4)22-20-19(16-10-8-7-9-11-16)17(12-13(2)3)23-24(20)15(18)5/h7-11,13H,6,12H2,1-5H3
InChIKey
YZUAOXSNOPZESG-UHFFFAOYSA-N
Compound name
ethyl 5,7-dimethyl-2-(2-methylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 187.7
[M+Na]+ 374.18389 197.5
[M-H]- 350.18739 192.3
[M+NH4]+ 369.22849 200.1
[M+K]+ 390.15783 192.3
[M+H-H2O]+ 334.19193 177.9
[M+HCOO]- 396.19287 206.1
[M+CH3COO]- 410.20852 218.3
[M+Na-2H]- 372.16934 187.2
[M]+ 351.19412 194.4
[M]- 351.19522 194.4
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

No patent data available for this compound.