CID 135435124

4(3h)-pyrimidinone, 2-amino-5-bromo-6-(3-iodophenyl)-

Structural Information

Molecular Formula
C10H7BrIN3O
SMILES
C1=CC(=CC(=C1)I)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H7BrIN3O/c11-7-8(14-10(13)15-9(7)16)5-2-1-3-6(12)4-5/h1-4H,(H3,13,14,15,16)
InChIKey
XDOJMPNAFLOEGQ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(3-iodophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.8817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.88898 159.8
[M+Na]+ 413.87092 165.8
[M-H]- 389.87442 158.7
[M+NH4]+ 408.91552 171.3
[M+K]+ 429.84486 158.4
[M+H-H2O]+ 373.87896 154.2
[M+HCOO]- 435.87990 174.5
[M+CH3COO]- 449.89555 202.9
[M+Na-2H]- 411.85637 155.2
[M]+ 390.88115 172.5
[M]- 390.88225 172.5
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.