CID 3401968

2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C11H14N4
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)C
InChI
InChI=1S/C11H14N4/c1-7-5-8(2)13-11(12-7)15-10(4)6-9(3)14-15/h5-6H,1-4H3
InChIKey
HZNGLSIEGWQEIB-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

202.12184 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 146.3
[M+Na]+ 225.11106 161.4
[M+NH4]+ 220.15566 153.7
[M+K]+ 241.08500 156.5
[M-H]- 201.11456 148.3
[M+Na-2H]- 223.09651 154.0
[M]+ 202.12129 149.0
[M]- 202.12239 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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