CID 135417410

4,6(1h,5h)-pyrimidinedione, 5-benzyl-2-(furfurylamino)-

Structural Information

Molecular Formula
C16H15N3O3
SMILES
C1=CC=C(C=C1)CC2C(=O)NC(=NCC3=CC=CO3)NC2=O
InChI
InChI=1S/C16H15N3O3/c20-14-13(9-11-5-2-1-3-6-11)15(21)19-16(18-14)17-10-12-7-4-8-22-12/h1-8,13H,9-10H2,(H2,17,18,19,20,21)
InChIKey
UQFMSOFYTQZCRH-UHFFFAOYSA-N
Compound name
5-benzyl-2-(furan-2-ylmethylimino)-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 168.2
[M+Na]+ 320.10055 174.3
[M-H]- 296.10405 174.4
[M+NH4]+ 315.14515 179.5
[M+K]+ 336.07449 169.6
[M+H-H2O]+ 280.10859 158.6
[M+HCOO]- 342.10953 186.8
[M+CH3COO]- 356.12518 199.7
[M+Na-2H]- 318.08600 170.5
[M]+ 297.11078 164.2
[M]- 297.11188 164.2
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.