CID 135469527

Schembl7206804

Structural Information

Molecular Formula
C23H31N5O3
SMILES
CCN=C1C2=C(N=C(N2)C(C)(C)O)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H31N5O3/c1-5-24-20-19-21(27-22(26-19)23(2,3)29)28(14-25-20)13-15-10-11-17(30-4)18(12-15)31-16-8-6-7-9-16/h10-12,14,16,29H,5-9,13H2,1-4H3,(H,26,27)
InChIKey
OGSGLHCELWCXEC-UHFFFAOYSA-N
Compound name
2-[3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6-ethylimino-7H-purin-8-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

425.24268 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24996 204.7
[M+Na]+ 448.23190 211.6
[M-H]- 424.23540 210.0
[M+NH4]+ 443.27650 213.0
[M+K]+ 464.20584 205.9
[M+H-H2O]+ 408.23994 194.4
[M+HCOO]- 470.24088 220.4
[M+CH3COO]- 484.25653 227.3
[M+Na-2H]- 446.21735 204.5
[M]+ 425.24213 207.6
[M]- 425.24323 207.6
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.