CID 135435137

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

Structural Information

Molecular Formula
C11H10IN3O
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)I
InChI
InChI=1S/C11H10IN3O/c1-6-2-4-7(5-3-6)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKey
VFAUEASWKXIZMK-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-4-(4-methylphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.98685 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.99413 157.0
[M+Na]+ 349.97607 160.1
[M-H]- 325.97957 153.1
[M+NH4]+ 345.02067 167.2
[M+K]+ 365.95001 160.8
[M+H-H2O]+ 309.98411 145.3
[M+HCOO]- 371.98505 173.5
[M+CH3COO]- 386.00070 197.0
[M+Na-2H]- 347.96152 150.3
[M]+ 326.98630 152.3
[M]- 326.98740 152.3
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.