CID 135463956

107235-64-3

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCCC(C)C1(C(=O)NC(=NC2=CC=CC=C2)NC1=O)CC
InChI
InChI=1S/C17H23N3O2/c1-4-9-12(3)17(5-2)14(21)19-16(20-15(17)22)18-13-10-7-6-8-11-13/h6-8,10-12H,4-5,9H2,1-3H3,(H2,18,19,20,21,22)
InChIKey
YDPSLGQFNVUJOV-UHFFFAOYSA-N
Compound name
5-ethyl-5-pentan-2-yl-2-phenylimino-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

301.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.9
[M+Na]+ 324.16824 184.3
[M+NH4]+ 319.21284 180.7
[M+K]+ 340.14218 176.2
[M-H]- 300.17174 175.5
[M+Na-2H]- 322.15369 179.7
[M]+ 301.17847 175.6
[M]- 301.17957 175.6
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

No patent data available for this compound.