CID 26625

Brn 0759146

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]+ 303.13393 169.2
[M+Na]+ 325.11587 176.2
[M-H]- 301.11937 170.3
[M+NH4]+ 320.16047 182.0
[M+K]+ 341.08981 171.3
[M+H-H2O]+ 285.12391 161.6
[M+HCOO]- 347.12485 183.4
[M+CH3COO]- 361.14050 200.0
[M+Na-2H]- 323.10132 169.9
[M]+ 302.12610 166.3
[M]- 302.12720 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.