CID 135480641

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

Structural Information

Molecular Formula
C10H7ClIN3O
SMILES
C1=CC(=CC=C1C2=C(C(=O)NC(=N2)N)I)Cl
InChI
InChI=1S/C10H7ClIN3O/c11-6-3-1-5(2-4-6)8-7(12)9(16)15-10(13)14-8/h1-4H,(H3,13,14,15,16)
InChIKey
LAQVGSHDIFLIFU-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-5-iodo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.93225 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.93953 156.2
[M+Na]+ 369.92147 160.3
[M-H]- 345.92497 152.2
[M+NH4]+ 364.96607 166.5
[M+K]+ 385.89541 159.7
[M+H-H2O]+ 329.92951 145.2
[M+HCOO]- 391.93045 168.7
[M+CH3COO]- 405.94610 164.1
[M+Na-2H]- 367.90692 149.8
[M]+ 346.93170 153.1
[M]- 346.93280 153.1
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

No patent data available for this compound.