CID 11268049

299916-62-4

Structural Information

Molecular Formula
C15H14BrN3O2
SMILES
COC1=NC=NC2=C1N(C=C2Br)COCC3=CC=CC=C3
InChI
InChI=1S/C15H14BrN3O2/c1-20-15-14-13(17-9-18-15)12(16)7-19(14)10-21-8-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKey
REUIHHUGJSYWNC-UHFFFAOYSA-N
Compound name
7-bromo-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

347.02695 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03423 174.8
[M+Na]+ 370.01617 180.7
[M+NH4]+ 365.06077 178.8
[M+K]+ 385.99011 180.3
[M-H]- 346.01967 176.1
[M+Na-2H]- 368.00162 179.2
[M]+ 347.02640 174.9
[M]- 347.02750 174.9
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

patents stripe