CID 135463955

Brn 5600538

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCC1(C(=NC2=CC=CC=C2)NC(=O)NC1=O)CCCC
InChI
InChI=1S/C18H25N3O2/c1-3-5-12-18(13-6-4-2)15(20-17(23)21-16(18)22)19-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,19,20,21,22,23)
InChIKey
YXEJKGWJXSLRPY-UHFFFAOYSA-N
Compound name
5,5-dibutyl-6-phenylimino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 177.4
[M+Na]+ 338.18389 182.5
[M-H]- 314.18739 179.0
[M+NH4]+ 333.22849 190.1
[M+K]+ 354.15783 176.7
[M+H-H2O]+ 298.19193 168.4
[M+HCOO]- 360.19287 194.0
[M+CH3COO]- 374.20852 207.0
[M+Na-2H]- 336.16934 179.5
[M]+ 315.19412 174.2
[M]- 315.19522 174.2
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.