CID 135435149

Chembl52687

Structural Information

Molecular Formula
C11H10IN3O2
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)I
InChI
InChI=1S/C11H10IN3O2/c1-17-7-4-2-6(3-5-7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKey
VGKGYLPLENSLQH-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.98178 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98906 161.3
[M+Na]+ 365.97100 164.2
[M-H]- 341.97450 157.4
[M+NH4]+ 361.01560 170.8
[M+K]+ 381.94494 165.4
[M+H-H2O]+ 325.97904 149.3
[M+HCOO]- 387.97998 178.0
[M+CH3COO]- 401.99563 199.1
[M+Na-2H]- 363.95645 154.4
[M]+ 342.98123 157.9
[M]- 342.98233 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.