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 160.1
[M+Na]+ 292.10564 170.3
[M-H]- 268.10914 164.3
[M+NH4]+ 287.15024 175.2
[M+K]+ 308.07958 165.8
[M+H-H2O]+ 252.11368 150.2
[M+HCOO]- 314.11462 182.4
[M+CH3COO]- 328.13027 172.4
[M+Na-2H]- 290.09109 167.3
[M]+ 269.11587 165.4
[M]- 269.11697 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