CID 56287

Brn 0544893

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]+ 370.98873 171.2
[M+Na]+ 392.97067 175.2
[M+NH4]+ 388.01527 173.3
[M+K]+ 408.94461 170.9
[M-H]- 368.97417 165.3
[M+Na-2H]- 390.95612 163.8
[M]+ 369.98090 168.8
[M]- 369.98200 168.8
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.