CID 3065941

Brn 5103453

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(=C)CC(C1C(=O)NC(=O)NC1=O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H18N2O4/c1-9(2)8-11(10-6-4-5-7-12(10)22-3)13-14(19)17-16(21)18-15(13)20/h4-7,11,13H,1,8H2,2-3H3,(H2,17,18,19,20,21)
InChIKey
DXPYYHHSZQEVGJ-UHFFFAOYSA-N
Compound name
5-[1-(2-methoxyphenyl)-3-methylbut-3-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 169.7
[M+Na]+ 325.115868 175.4
[M-H]- 301.119374 170.6
[M+NH4]+ 320.160473 180.3
[M+K]+ 341.089808 170.7
[M+H-H2O]+ 285.123910 161.5
[M+HCOO]- 347.124851 182.9
[M+CH3COO]- 361.140501 201.5
[M+Na-2H]- 323.101316 167.9
[M]+ 302.12610142 165.9
[M]- 302.12719858 165.9
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.