CID 603574

Dimethylipral

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)C)C)C(C)C
InChI
InChI=1S/C11H18N2O3/c1-6-11(7(2)3)8(14)12(4)10(16)13(5)9(11)15/h7H,6H2,1-5H3
InChIKey
LHUCSKCTEVUXIP-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 146.1
[M+Na]+ 249.120958 155.8
[M-H]- 225.124464 147.7
[M+NH4]+ 244.165563 164.6
[M+K]+ 265.094898 154.6
[M+H-H2O]+ 209.129000 140.9
[M+HCOO]- 271.129941 163.4
[M+CH3COO]- 285.145591 193.9
[M+Na-2H]- 247.106406 147.6
[M]+ 226.13119142 147.6
[M]- 226.13228858 147.6
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.