CID 26625

14305-83-0

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(CC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)CC=C)O
InChI
InChI=1S/C16H18N2O4/c1-3-9-16(10-11(2)19)13(20)17-15(22)18(14(16)21)12-7-5-4-6-8-12/h3-8,11,19H,1,9-10H2,2H3,(H,17,20,22)
InChIKey
HLLVNQIINMJLBS-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropyl)-1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 169.2
[M+Na]+ 325.115868 176.2
[M-H]- 301.119374 170.3
[M+NH4]+ 320.160473 182.0
[M+K]+ 341.089808 171.3
[M+H-H2O]+ 285.123910 161.6
[M+HCOO]- 347.124851 183.4
[M+CH3COO]- 361.140501 200.0
[M+Na-2H]- 323.101316 169.9
[M]+ 302.12610142 166.3
[M]- 302.12719858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.