CID 135463954

105891-86-9

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCCC1(C(=NC2=CN=CC=C2)NC(=O)NC1=O)CCC
InChI
InChI=1S/C15H20N4O2/c1-3-7-15(8-4-2)12(18-14(21)19-13(15)20)17-11-6-5-9-16-10-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
ZBFJGEQYIYVTPM-UHFFFAOYSA-N
Compound name
5,5-dipropyl-6-pyridin-3-ylimino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 169.4
[M+Na]+ 311.14785 175.8
[M-H]- 287.15135 170.2
[M+NH4]+ 306.19245 181.8
[M+K]+ 327.12179 170.5
[M+H-H2O]+ 271.15589 160.1
[M+HCOO]- 333.15683 185.6
[M+CH3COO]- 347.17248 200.8
[M+Na-2H]- 309.13330 173.1
[M]+ 288.15808 165.7
[M]- 288.15918 165.7
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.