CID 5278265

2-bromo-3-(2-hydroxyethoxymethyl)-6-methyl-5h-imidazo[1,2-a]purin-9-one

Structural Information

Molecular Formula
C11H12BrN5O3
SMILES
CC1=CN2C(=O)C3=C(N=C2N1)N(C(=N3)Br)COCCO
InChI
InChI=1S/C11H12BrN5O3/c1-6-4-16-9(19)7-8(15-11(16)13-6)17(10(12)14-7)5-20-3-2-18/h4,18H,2-3,5H2,1H3,(H,13,15)
InChIKey
AGASSTHGGSUOOL-UHFFFAOYSA-N
Compound name
2-bromo-3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.01236 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01964 163.8
[M+Na]+ 364.00158 180.5
[M-H]- 340.00508 165.7
[M+NH4]+ 359.04618 179.9
[M+K]+ 379.97552 168.2
[M+H-H2O]+ 324.00962 162.9
[M+HCOO]- 386.01056 180.8
[M+CH3COO]- 400.02621 177.4
[M+Na-2H]- 361.98703 169.6
[M]+ 341.01181 188.6
[M]- 341.01291 188.6
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.