CID 385067

Nsc675993

Structural Information

Molecular Formula
C10H9IN3O2
SMILES
C1=CC=C(C=C1)[I+]C2=C(N=C(NC2=O)N)O
InChI
InChI=1S/C10H8IN3O2/c12-10-13-8(15)7(9(16)14-10)11-6-4-2-1-3-5-6/h1-5H,(H3-,12,13,14,15,16)/p+1
InChIKey
JIRDYBPETPRBGW-UHFFFAOYSA-O
Compound name
(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-phenyliodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.97394 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98122 160.5
[M+Na]+ 352.96316 162.2
[M-H]- 328.96666 155.4
[M+NH4]+ 348.00776 169.2
[M+K]+ 368.93710 157.6
[M+H-H2O]+ 312.97120 151.3
[M+HCOO]- 374.97214 175.7
[M+CH3COO]- 388.98779 186.1
[M+Na-2H]- 350.94861 156.5
[M]+ 329.97339 153.4
[M]- 329.97449 153.4
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.