CID 3242

Epirizole

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC
InChI
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
InChIKey
RHAXSHUQNIEUEY-UHFFFAOYSA-N
Compound name
4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

96
References

10390
Patents

234.11168 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 152.0
[M+Na]+ 257.100898 163.5
[M-H]- 233.104404 154.6
[M+NH4]+ 252.145503 166.9
[M+K]+ 273.074838 160.7
[M+H-H2O]+ 217.108940 142.7
[M+HCOO]- 279.109881 173.1
[M+CH3COO]- 293.125531 192.7
[M+Na-2H]- 255.086346 155.9
[M]+ 234.11113142 157.2
[M]- 234.11222858 157.2
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