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]+ 298.118606 168.2
[M+Na]+ 320.100548 174.3
[M-H]- 296.104054 174.4
[M+NH4]+ 315.145153 179.5
[M+K]+ 336.074488 169.6
[M+H-H2O]+ 280.108590 158.6
[M+HCOO]- 342.109531 186.8
[M+CH3COO]- 356.125181 199.7
[M+Na-2H]- 318.085996 170.5
[M]+ 297.11078142 164.2
[M]- 297.11187858 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.