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 163.3
[M+Na]+ 301.12710 172.1
[M-H]- 277.13060 167.3
[M+NH4]+ 296.17170 176.0
[M+K]+ 317.10104 168.2
[M+H-H2O]+ 261.13514 154.6
[M+HCOO]- 323.13608 186.1
[M+CH3COO]- 337.15173 201.1
[M+Na-2H]- 299.11255 166.5
[M]+ 278.13733 164.6
[M]- 278.13843 164.6
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.