CID 135463957

Brn 5603706

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCC(C)C1(C(=O)NC(=NC2=CC=CC(=C2)C)NC1=O)CC
InChI
InChI=1S/C18H25N3O2/c1-5-8-13(4)18(6-2)15(22)20-17(21-16(18)23)19-14-10-7-9-12(3)11-14/h7,9-11,13H,5-6,8H2,1-4H3,(H2,19,20,21,22,23)
InChIKey
VRBPOQSZKMYRMX-UHFFFAOYSA-N
Compound name
5-ethyl-2-(3-methylphenyl)imino-5-pentan-2-yl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 178.1
[M+Na]+ 338.18389 188.6
[M+NH4]+ 333.22849 184.7
[M+K]+ 354.15783 180.5
[M-H]- 314.18739 179.7
[M+Na-2H]- 336.16934 183.4
[M]+ 315.19412 179.9
[M]- 315.19522 179.9
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.