CID 11402960

1026012-16-7

Structural Information

Molecular Formula
C15H15N3O2
SMILES
COC1=NC=NC2=C1N(C=C2)COCC3=CC=CC=C3
InChI
InChI=1S/C15H15N3O2/c1-19-15-14-13(16-10-17-15)7-8-18(14)11-20-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3
InChIKey
BVHDDIUMYNBRQQ-UHFFFAOYSA-N
Compound name
4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

269.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.7
[M+Na]+ 292.10564 176.4
[M+NH4]+ 287.15024 168.5
[M+K]+ 308.07958 170.2
[M-H]- 268.10914 163.7
[M+Na-2H]- 290.09109 169.7
[M]+ 269.11587 163.9
[M]- 269.11697 163.9
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