CID 135463948

105891-78-9

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]+ 288.17068 168.9
[M+Na]+ 310.15262 174.9
[M-H]- 286.15612 170.9
[M+NH4]+ 305.19722 182.8
[M+K]+ 326.12656 169.5
[M+H-H2O]+ 270.16066 160.3
[M+HCOO]- 332.16160 186.2
[M+CH3COO]- 346.17725 201.0
[M+Na-2H]- 308.13807 172.0
[M]+ 287.16285 165.0
[M]- 287.16395 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.