CID 2384416

726153-82-8

Structural Information

Molecular Formula
C13H18N4O3
SMILES
CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CO2)N
InChI
InChI=1S/C13H18N4O3/c1-2-3-6-17-11(14)10(12(18)16-13(17)19)15-8-9-5-4-7-20-9/h4-5,7,15H,2-3,6,8,14H2,1H3,(H,16,18,19)
InChIKey
WBIWFAIZIFPOOH-UHFFFAOYSA-N
Compound name
6-amino-1-butyl-5-(furan-2-ylmethylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13788 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14516 164.0
[M+Na]+ 301.12710 174.7
[M+NH4]+ 296.17170 168.8
[M+K]+ 317.10104 172.0
[M-H]- 277.13060 166.8
[M+Na-2H]- 299.11255 168.2
[M]+ 278.13733 165.9
[M]- 278.13843 165.9
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.