CID 165770894

3-(4-chloro-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C15H15ClN4
SMILES
CC1=C(C=CC(=C1)Cl)C2=C3N=C(C=C(N3N=C2C)N)C
InChI
InChI=1S/C15H15ClN4/c1-8-6-11(16)4-5-12(8)14-10(3)19-20-13(17)7-9(2)18-15(14)20/h4-7H,17H2,1-3H3
InChIKey
MYSAXOMZSTYLNA-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0985 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10578 167.5
[M+Na]+ 309.08772 181.6
[M-H]- 285.09122 172.4
[M+NH4]+ 304.13232 183.6
[M+K]+ 325.06166 174.0
[M+H-H2O]+ 269.09576 159.0
[M+HCOO]- 331.09670 185.1
[M+CH3COO]- 345.11235 180.2
[M+Na-2H]- 307.07317 170.6
[M]+ 286.09795 172.3
[M]- 286.09905 172.3
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.