CID 2317988

5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H10N6
SMILES
CC1=CC(=NC(=N1)N2C(=C(C=N2)C#N)N)C
InChI
InChI=1S/C10H10N6/c1-6-3-7(2)15-10(14-6)16-9(12)8(4-11)5-13-16/h3,5H,12H2,1-2H3
InChIKey
WQQKULDQYMETRA-UHFFFAOYSA-N
Compound name
5-amino-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

214.0967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10398 145.4
[M+Na]+ 237.08592 156.8
[M-H]- 213.08942 145.5
[M+NH4]+ 232.13052 158.1
[M+K]+ 253.05986 152.8
[M+H-H2O]+ 197.09396 128.7
[M+HCOO]- 259.09490 162.6
[M+CH3COO]- 273.11055 155.8
[M+Na-2H]- 235.07137 148.7
[M]+ 214.09615 139.9
[M]- 214.09725 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe