CID 93617

57270-81-2

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CN1C(=O)C(=CC2=CC=C(C=C2)N(C)C)C(=O)N(C1=O)C
InChI
InChI=1S/C15H17N3O3/c1-16(2)11-7-5-10(6-8-11)9-12-13(19)17(3)15(21)18(4)14(12)20/h5-9H,1-4H3
InChIKey
RRRGNIDYMUNGFN-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

287.12698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.0
[M+Na]+ 310.116198 174.0
[M-H]- 286.119704 171.0
[M+NH4]+ 305.160803 178.9
[M+K]+ 326.090138 170.9
[M+H-H2O]+ 270.124240 156.3
[M+HCOO]- 332.125181 184.9
[M+CH3COO]- 346.140831 209.5
[M+Na-2H]- 308.101646 165.3
[M]+ 287.12643142 165.6
[M]- 287.12752858 165.6
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

patents stripe