CID 2429003

722467-81-4

Structural Information

Molecular Formula
C14H18N4O3
SMILES
COCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)
InChIKey
FGUMUZKTCACZCX-UHFFFAOYSA-N
Compound name
6-amino-5-(benzylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.13788 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 165.9
[M+Na]+ 313.12710 174.3
[M-H]- 289.13060 168.9
[M+NH4]+ 308.17170 177.5
[M+K]+ 329.10104 169.2
[M+H-H2O]+ 273.13514 156.5
[M+HCOO]- 335.13608 188.4
[M+CH3COO]- 349.15173 204.2
[M+Na-2H]- 311.11255 170.5
[M]+ 290.13733 166.1
[M]- 290.13843 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.