CID 167715903

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

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCOC(=O)C1=C(N2C(=C(C(=N2)CC(C)C)C3=CC=CC=C3)N=C1)C
InChI
InChI=1S/C20H23N3O2/c1-5-25-20(24)16-12-21-19-18(15-9-7-6-8-10-15)17(11-13(2)3)22-23(19)14(16)4/h6-10,12-13H,5,11H2,1-4H3
InChIKey
KYORCCLWYWBZGN-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-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

337.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 183.1
[M+Na]+ 360.16824 192.5
[M-H]- 336.17174 187.5
[M+NH4]+ 355.21284 195.8
[M+K]+ 376.14218 187.5
[M+H-H2O]+ 320.17628 173.2
[M+HCOO]- 382.17722 201.9
[M+CH3COO]- 396.19287 214.1
[M+Na-2H]- 358.15369 183.9
[M]+ 337.17847 189.0
[M]- 337.17957 189.0
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.