CID 97046704

5-iodo-2-(methylthio)pyrimidine-4,6-diamine

Structural Information

Molecular Formula
C5H7IN4S
SMILES
CSC1=NC(=C(C(=N1)N)I)N
InChI
InChI=1S/C5H7IN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10)
InChIKey
UGHMJPIINUNWIA-UHFFFAOYSA-N
Compound name
5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.94363 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95091 145.9
[M+Na]+ 304.93285 148.9
[M-H]- 280.93635 140.2
[M+NH4]+ 299.97745 158.8
[M+K]+ 320.90679 150.9
[M+H-H2O]+ 264.94089 135.4
[M+HCOO]- 326.94183 159.2
[M+CH3COO]- 340.95748 191.6
[M+Na-2H]- 302.91830 136.7
[M]+ 281.94308 142.5
[M]- 281.94418 142.5
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.