CID 120784

743-44-2

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/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/h3-8,10-13,16H,2,9H2,1H3
InChIKey
MWWOKYNVIVAHLX-UHFFFAOYSA-N
Compound name
1,3-diphenyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 176.5
[M+Na]+ 345.12096 184.3
[M-H]- 321.12446 183.4
[M+NH4]+ 340.16556 187.6
[M+K]+ 361.09490 178.8
[M+H-H2O]+ 305.12900 165.8
[M+HCOO]- 367.12994 194.5
[M+CH3COO]- 381.14559 209.1
[M+Na-2H]- 343.10641 177.7
[M]+ 322.13119 175.4
[M]- 322.13229 175.4
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

patents stripe