CID 43554488

1,3-dimethyl-5-(pyridin-3-yloxy)-1h-pyrazol-4-amine dihydrochloride

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=NN(C(=C1N)OC2=CN=CC=C2)C
InChI
InChI=1S/C10H12N4O/c1-7-9(11)10(14(2)13-7)15-8-4-3-5-12-6-8/h3-6H,11H2,1-2H3
InChIKey
NGYSCRDBGDVWHX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 143.9
[M+Na]+ 227.090318 154.2
[M-H]- 203.093824 147.3
[M+NH4]+ 222.134923 160.6
[M+K]+ 243.064258 150.9
[M+H-H2O]+ 187.098360 135.2
[M+HCOO]- 249.099301 167.1
[M+CH3COO]- 263.114951 187.8
[M+Na-2H]- 225.075766 148.8
[M]+ 204.10055142 144.8
[M]- 204.10164858 144.8
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.