CID 145913405

Diiodopyrimidine-2,5-diamine

Structural Information

Molecular Formula
C4H4I2N4
SMILES
C1(=C(N=C(N=C1I)N)I)N
InChI
InChI=1S/C4H4I2N4/c5-2-1(7)3(6)10-4(8)9-2/h7H2,(H2,8,9,10)
InChIKey
BXJNGZXJNZXGCO-UHFFFAOYSA-N
Compound name
4,6-diiodopyrimidine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.85254 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.85982 144.6
[M+Na]+ 384.84176 139.7
[M-H]- 360.84526 134.5
[M+NH4]+ 379.88636 152.2
[M+K]+ 400.81570 149.1
[M+H-H2O]+ 344.84980 132.1
[M+HCOO]- 406.85074 156.6
[M+CH3COO]- 420.86639 202.6
[M+Na-2H]- 382.82721 132.8
[M]+ 361.85199 137.5
[M]- 361.85309 137.5
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.