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

42
Patents

269.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 160.1
[M+Na]+ 292.105638 170.3
[M-H]- 268.109144 164.3
[M+NH4]+ 287.150243 175.2
[M+K]+ 308.079578 165.8
[M+H-H2O]+ 252.113680 150.2
[M+HCOO]- 314.114621 182.4
[M+CH3COO]- 328.130271 172.4
[M+Na-2H]- 290.091086 167.3
[M]+ 269.11587142 165.4
[M]- 269.11696858 165.4
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