CID 212800

2-(4-(2-(o-methoxyphenoxy)ethyl)-1-piperazinyl)-9h-purine dimethanesulfonate

Structural Information

Molecular Formula
C18H22N6O2
SMILES
COC1=CC=CC=C1OCCN2CCN(CC2)C3=NC=C4C(=N3)N=CN4
InChI
InChI=1S/C18H22N6O2/c1-25-15-4-2-3-5-16(15)26-11-10-23-6-8-24(9-7-23)18-19-12-14-17(22-18)21-13-20-14/h2-5,12-13H,6-11H2,1H3,(H,19,20,21,22)
InChIKey
LTPGVUPHKUJESK-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.18042 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18770 185.0
[M+Na]+ 377.16964 192.2
[M-H]- 353.17314 186.1
[M+NH4]+ 372.21424 190.9
[M+K]+ 393.14358 185.3
[M+H-H2O]+ 337.17768 171.7
[M+HCOO]- 399.17862 197.3
[M+CH3COO]- 413.19427 192.3
[M+Na-2H]- 375.15509 188.3
[M]+ 354.17987 184.3
[M]- 354.18097 184.3
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

No patent data available for this compound.