CID 135435122

4(3h)-pyrimidinone, 2-amino-6-(3-bromophenyl)-5-iodo-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

390.8817 Da
Monoisotopic Mass

1.7
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

patents stripe