CID 472231

Chembl65163

Structural Information

Molecular Formula
C14H24BrN6O4P
SMILES
CC(C)OP(=O)(COCCN1C2=NC(=NC(=C2N=C1Br)N)N)OC(C)C
InChI
InChI=1S/C14H24BrN6O4P/c1-8(2)24-26(22,25-9(3)4)7-23-6-5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h8-9H,5-7H2,1-4H3,(H4,16,17,19,20)
InChIKey
PNJPQIXUWFJUKS-UHFFFAOYSA-N
Compound name
8-bromo-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.078 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.08528 199.8
[M+Na]+ 473.06722 209.3
[M-H]- 449.07072 200.8
[M+NH4]+ 468.11182 210.0
[M+K]+ 489.04116 199.1
[M+H-H2O]+ 433.07526 193.9
[M+HCOO]- 495.07620 219.3
[M+CH3COO]- 509.09185 231.7
[M+Na-2H]- 471.05267 199.3
[M]+ 450.07745 223.6
[M]- 450.07855 223.6
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.