CID 3717629

6-amino-1-benzyl-5-[(2-hydroxyethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H16N4O3
SMILES
C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)NCCO)N
InChI
InChI=1S/C13H16N4O3/c14-11-10(15-6-7-18)12(19)16-13(20)17(11)8-9-4-2-1-3-5-9/h1-5,15,18H,6-8,14H2,(H,16,19,20)
InChIKey
ZRTOQPVGDOSDKW-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-(2-hydroxyethylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12225 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.129526 161.8
[M+Na]+ 299.111468 170.2
[M-H]- 275.114974 163.6
[M+NH4]+ 294.156073 173.3
[M+K]+ 315.085408 164.5
[M+H-H2O]+ 259.119510 152.9
[M+HCOO]- 321.120451 183.2
[M+CH3COO]- 335.136101 199.0
[M+Na-2H]- 297.096916 166.5
[M]+ 276.12170142 159.9
[M]- 276.12279858 159.9
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.