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 173.2
[M+Na]+ 324.16824 178.5
[M-H]- 300.17174 175.1
[M+NH4]+ 319.21284 186.4
[M+K]+ 340.14218 173.5
[M+H-H2O]+ 284.17628 164.7
[M+HCOO]- 346.17722 189.1
[M+CH3COO]- 360.19287 204.9
[M+Na-2H]- 322.15369 174.7
[M]+ 301.17847 169.1
[M]- 301.17957 169.1
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.