CID 145874543

4,6-diiodo-2-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C5H5I2N3
SMILES
CC1=NC(=C(C(=N1)I)N)I
InChI
InChI=1S/C5H5I2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
InChIKey
YGBWPBVWDZISGZ-UHFFFAOYSA-N
Compound name
4,6-diiodo-2-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.8573 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.86458 138.4
[M+Na]+ 383.84652 133.8
[M-H]- 359.85002 128.4
[M+NH4]+ 378.89112 146.5
[M+K]+ 399.82046 143.5
[M+H-H2O]+ 343.85456 126.2
[M+HCOO]- 405.85550 150.0
[M+CH3COO]- 419.87115 201.5
[M+Na-2H]- 381.83197 127.3
[M]+ 360.85675 133.0
[M]- 360.85785 133.0
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.