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]+ 277.12953 161.8
[M+Na]+ 299.11147 170.2
[M-H]- 275.11497 163.6
[M+NH4]+ 294.15607 173.3
[M+K]+ 315.08541 164.5
[M+H-H2O]+ 259.11951 152.9
[M+HCOO]- 321.12045 183.2
[M+CH3COO]- 335.13610 199.0
[M+Na-2H]- 297.09692 166.5
[M]+ 276.12170 159.9
[M]- 276.12280 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.