CID 126558495

2079069-47-7

Structural Information

Molecular Formula
C12H12Cl2N4
SMILES
CN1C(=C(C=N1)C2=NC(=NC=C2Cl)Cl)CC3CC3
InChI
InChI=1S/C12H12Cl2N4/c1-18-10(4-7-2-3-7)8(5-16-18)11-9(13)6-15-12(14)17-11/h5-7H,2-4H2,1H3
InChIKey
SQPYQLADHMOVPT-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

282.0439 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05118 166.6
[M+Na]+ 305.03312 179.4
[M-H]- 281.03662 170.5
[M+NH4]+ 300.07772 175.6
[M+K]+ 321.00706 171.4
[M+H-H2O]+ 265.04116 156.4
[M+HCOO]- 327.04210 177.4
[M+CH3COO]- 341.05775 177.0
[M+Na-2H]- 303.01857 167.6
[M]+ 282.04335 171.8
[M]- 282.04445 171.8
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