CID 13798481

107166-95-0

Structural Information

Molecular Formula
C7H9IN2OS
SMILES
CC1=C(C(=NC(=N1)SC)OC)I
InChI
InChI=1S/C7H9IN2OS/c1-4-5(8)6(11-2)10-7(9-4)12-3/h1-3H3
InChIKey
IXLHBHWZJSTGRU-UHFFFAOYSA-N
Compound name
5-iodo-4-methoxy-6-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.94803 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.95531 142.5
[M+Na]+ 318.93725 146.3
[M-H]- 294.94075 137.6
[M+NH4]+ 313.98185 156.1
[M+K]+ 334.91119 149.6
[M+H-H2O]+ 278.94529 132.4
[M+HCOO]- 340.94623 155.1
[M+CH3COO]- 354.96188 191.2
[M+Na-2H]- 316.92270 134.1
[M]+ 295.94748 144.6
[M]- 295.94858 144.6
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.