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 181.9
[M+Na]+ 360.16824 196.6
[M+NH4]+ 355.21284 188.4
[M+K]+ 376.14218 191.3
[M-H]- 336.17174 184.3
[M+Na-2H]- 358.15369 188.4
[M]+ 337.17847 184.7
[M]- 337.17957 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.