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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.105776	167.5
[M+Na]+	309.087718	181.6
[M-H]-	285.091224	172.4
[M+NH4]+	304.132323	183.6
[M+K]+	325.061658	174.0
[M+H-H2O]+	269.095760	159.0
[M+HCOO]-	331.096701	185.1
[M+CH3COO]-	345.112351	180.2
[M+Na-2H]-	307.073166	170.6
[M]+	286.09795142	172.3
[M]-	286.09904858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.