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 169.3
[M+Na]+ 370.01617 182.8
[M-H]- 346.01967 176.3
[M+NH4]+ 365.06077 185.5
[M+K]+ 385.99011 171.1
[M+H-H2O]+ 330.02421 166.9
[M+HCOO]- 392.02515 189.4
[M+CH3COO]- 406.04080 183.1
[M+Na-2H]- 368.00162 176.7
[M]+ 347.02640 193.4
[M]- 347.02750 193.4
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