CID 135410914

72943-43-2

Structural Information

Molecular Formula
C10H8IN3O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)I
InChI
InChI=1S/C10H8IN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey
JBQRDRKWCBEQKP-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

83
Patents

312.97122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.97850 152.5
[M+Na]+ 335.96044 155.1
[M-H]- 311.96394 148.4
[M+NH4]+ 331.00504 163.0
[M+K]+ 351.93438 156.0
[M+H-H2O]+ 295.96848 140.8
[M+HCOO]- 357.96942 169.4
[M+CH3COO]- 371.98507 193.0
[M+Na-2H]- 333.94589 147.0
[M]+ 312.97067 147.1
[M]- 312.97177 147.1
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