CID 199389

4102-01-6

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CC(CCC1N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2O4/c19-12-8-6-11(7-9-12)18-15(21)13(14(20)17-16(18)22)10-4-2-1-3-5-10/h1-5,11-13,19H,6-9H2,(H,17,20,22)
InChIKey
HRVVJJDUNHCKES-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-phenyl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 171.3
[M+Na]+ 325.11587 176.4
[M-H]- 301.11937 174.9
[M+NH4]+ 320.16047 181.6
[M+K]+ 341.08981 171.2
[M+H-H2O]+ 285.12391 161.8
[M+HCOO]- 347.12485 183.2
[M+CH3COO]- 361.14050 199.1
[M+Na-2H]- 323.10132 170.3
[M]+ 302.12610 162.8
[M]- 302.12720 162.8
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

patents stripe