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]+ 289.165906 169.4
[M+Na]+ 311.147848 175.8
[M-H]- 287.151354 170.2
[M+NH4]+ 306.192453 181.8
[M+K]+ 327.121788 170.5
[M+H-H2O]+ 271.155890 160.1
[M+HCOO]- 333.156831 185.6
[M+CH3COO]- 347.172481 200.8
[M+Na-2H]- 309.133296 173.1
[M]+ 288.15808142 165.7
[M]- 288.15917858 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.