CID 3065942

Brn 5079290

Structural Information

Molecular Formula
C15H16N2O4
SMILES
COC1=CC=C(C=C1)C(CC=C)C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C15H16N2O4/c1-3-4-11(9-5-7-10(21-2)8-6-9)12-13(18)16-15(20)17-14(12)19/h3,5-8,11-12H,1,4H2,2H3,(H2,16,17,18,19,20)
InChIKey
DUNCPRPBOVGNFW-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)but-3-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.118276 165.9
[M+Na]+ 311.100218 172.4
[M-H]- 287.103724 166.9
[M+NH4]+ 306.144823 177.2
[M+K]+ 327.074158 167.2
[M+H-H2O]+ 271.108260 157.6
[M+HCOO]- 333.109201 180.4
[M+CH3COO]- 347.124851 197.5
[M+Na-2H]- 309.085666 165.7
[M]+ 288.11045142 162.3
[M]- 288.11154858 162.3
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.