CID 10925590

222631-56-3

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C20H17N3O2/c1-3-7-15(8-4-1)13-24-19-18-17(11-12-21-18)22-20(23-19)25-14-16-9-5-2-6-10-16/h1-12,21H,13-14H2
InChIKey
NCMBDASTCHYLQY-UHFFFAOYSA-N
Compound name
2,4-bis(phenylmethoxy)-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

331.13208 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 178.8
[M+Na]+ 354.12130 195.8
[M+NH4]+ 349.16590 186.6
[M+K]+ 370.09524 188.3
[M-H]- 330.12480 184.1
[M+Na-2H]- 352.10675 189.9
[M]+ 331.13153 182.9
[M]- 331.13263 182.9
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