CID 822149

6-amino-1-benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H10BrN3O2
SMILES
C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)Br)N
InChI
InChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17)
InChIKey
MKHMQYHCJPMREC-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

294.99564 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00292 152.7
[M+Na]+ 317.98486 165.7
[M-H]- 293.98836 158.5
[M+NH4]+ 313.02946 168.3
[M+K]+ 333.95880 152.2
[M+H-H2O]+ 277.99290 150.6
[M+HCOO]- 339.99384 172.5
[M+CH3COO]- 354.00949 197.1
[M+Na-2H]- 315.97031 159.3
[M]+ 294.99509 169.8
[M]- 294.99619 169.8
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

patents stripe