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
2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-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]+ 256.11929 156.2
[M+Na]+ 278.10123 168.3
[M-H]- 254.10473 163.2
[M+NH4]+ 273.14583 170.0
[M+K]+ 294.07517 164.5
[M+H-H2O]+ 238.10927 146.7
[M+HCOO]- 300.11021 179.6
[M+CH3COO]- 314.12586 169.4
[M+Na-2H]- 276.08668 159.4
[M]+ 255.11146 159.5
[M]- 255.11256 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.