CID 13974

1045-97-2

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C=CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H22N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2-3,5-6,10-11,15-16H,1,4,7-9,12-13H2
InChIKey
KUOBVCZIZVOJEJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 179.2
[M+Na]+ 349.152278 184.2
[M-H]- 325.155784 184.9
[M+NH4]+ 344.196883 189.8
[M+K]+ 365.126218 178.7
[M+H-H2O]+ 309.160320 168.6
[M+HCOO]- 371.161261 193.0
[M+CH3COO]- 385.176911 209.6
[M+Na-2H]- 347.137726 177.4
[M]+ 326.16251142 173.1
[M]- 326.16360858 173.1
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.