CID 13968

1042-85-9

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C18H22N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKey
VHGLHDSRPPOBQD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.170336 176.1
[M+Na]+ 337.152278 181.2
[M-H]- 313.155784 182.0
[M+NH4]+ 332.196883 187.3
[M+K]+ 353.126218 176.6
[M+H-H2O]+ 297.160320 165.6
[M+HCOO]- 359.161261 190.1
[M+CH3COO]- 373.176911 207.3
[M+Na-2H]- 335.137726 174.8
[M]+ 314.16251142 170.4
[M]- 314.16360858 170.4
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.