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 163.3
[M+Na]+ 392.97067 164.6
[M-H]- 368.97417 157.8
[M+NH4]+ 388.01527 173.1
[M+K]+ 408.94461 165.0
[M+H-H2O]+ 352.97871 152.5
[M+HCOO]- 414.97965 174.4
[M+CH3COO]- 428.99530 198.6
[M+Na-2H]- 390.95612 154.6
[M]+ 369.98090 156.3
[M]- 369.98200 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.