CID 16228418

1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H13N5O
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C3=CC=CO3)N)C
InChI
InChI=1S/C13H13N5O/c1-8-6-9(2)16-13(15-8)18-12(14)7-10(17-18)11-4-3-5-19-11/h3-7H,14H2,1-2H3
InChIKey
HZPLGPYCWZYINE-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11201 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.119286 156.2
[M+Na]+ 278.101228 168.3
[M-H]- 254.104734 163.2
[M+NH4]+ 273.145833 170.0
[M+K]+ 294.075168 164.5
[M+H-H2O]+ 238.109270 146.7
[M+HCOO]- 300.110211 179.6
[M+CH3COO]- 314.125861 169.4
[M+Na-2H]- 276.086676 159.4
[M]+ 255.11146142 159.5
[M]- 255.11255858 159.5
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.