CID 56287

Barbituric acid, 5-allyl-5-(p-iodophenyl)-

Structural Information

Molecular Formula
C13H11IN2O3
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C13H11IN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19)
InChIKey
TZYKWQQJCAKHQH-UHFFFAOYSA-N
Compound name
5-(4-iodophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.98145 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.988726 163.3
[M+Na]+ 392.970668 164.6
[M-H]- 368.974174 157.8
[M+NH4]+ 388.015273 173.1
[M+K]+ 408.944608 165.0
[M+H-H2O]+ 352.978710 152.5
[M+HCOO]- 414.979651 174.4
[M+CH3COO]- 428.995301 198.6
[M+Na-2H]- 390.956116 154.6
[M]+ 369.98090142 156.3
[M]- 369.98199858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.