CID 87753

Dulcerozine

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CC1=NN(C(=C1)OC)C2=CC(=NC=N2)OC
InChI
InChI=1S/C10H12N4O2/c1-7-4-10(16-3)14(13-7)8-5-9(15-2)12-6-11-8/h4-6H,1-3H3
InChIKey
KIJMVZOSUXIDEI-UHFFFAOYSA-N
Compound name
4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

4
Patents

220.09602 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 147.2
[M+Na]+ 243.08524 158.2
[M-H]- 219.08874 149.6
[M+NH4]+ 238.12984 162.4
[M+K]+ 259.05918 155.8
[M+H-H2O]+ 203.09328 137.8
[M+HCOO]- 265.09422 168.7
[M+CH3COO]- 279.10987 188.6
[M+Na-2H]- 241.07069 152.4
[M]+ 220.09547 151.7
[M]- 220.09657 151.7
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.