CID 212800

24933-04-8

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]+ 355.187696 185.0
[M+Na]+ 377.169638 192.2
[M-H]- 353.173144 186.1
[M+NH4]+ 372.214243 190.9
[M+K]+ 393.143578 185.3
[M+H-H2O]+ 337.177680 171.7
[M+HCOO]- 399.178621 197.3
[M+CH3COO]- 413.194271 192.3
[M+Na-2H]- 375.155086 188.3
[M]+ 354.17987142 184.3
[M]- 354.18096858 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.