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]+ 303.13393 169.7
[M+Na]+ 325.11587 175.4
[M-H]- 301.11937 170.6
[M+NH4]+ 320.16047 180.3
[M+K]+ 341.08981 170.7
[M+H-H2O]+ 285.12391 161.5
[M+HCOO]- 347.12485 182.9
[M+CH3COO]- 361.14050 201.5
[M+Na-2H]- 323.10132 167.9
[M]+ 302.12610 165.9
[M]- 302.12720 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.