CID 135463948

Dtxsid00909802

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCCCC1(C(=NC2=CC=CC=C2)NC(=O)NC1=O)CC
InChI
InChI=1S/C16H21N3O2/c1-3-5-11-16(4-2)13(18-15(21)19-14(16)20)17-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
HTMOJQWNVMXVHZ-UHFFFAOYSA-N
Compound name
5-butyl-5-ethyl-6-phenylimino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 168.9
[M+Na]+ 310.152618 174.9
[M-H]- 286.156124 170.9
[M+NH4]+ 305.197223 182.8
[M+K]+ 326.126558 169.5
[M+H-H2O]+ 270.160660 160.3
[M+HCOO]- 332.161601 186.2
[M+CH3COO]- 346.177251 201.0
[M+Na-2H]- 308.138066 172.0
[M]+ 287.16285142 165.0
[M]- 287.16394858 165.0
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.