CID 389511

Nsc685798

Structural Information

Molecular Formula
C24H24ClN5O3
SMILES
CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)N)OC5=CC=C(C=C5)C
InChI
InChI=1S/C24H24ClN5O3/c1-14-3-7-16(8-4-14)31-12-19-18(32-17-9-5-15(2)6-10-17)11-20(33-19)30-13-27-21-22(25)28-24(26)29-23(21)30/h3-10,13,18-20H,11-12H2,1-2H3,(H2,26,28,29)
InChIKey
SVNDYEFTLZCTEX-UHFFFAOYSA-N
Compound name
6-chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.15677 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.16405 212.3
[M+Na]+ 488.14599 222.4
[M-H]- 464.14949 222.4
[M+NH4]+ 483.19059 218.7
[M+K]+ 504.11993 216.0
[M+H-H2O]+ 448.15403 200.4
[M+HCOO]- 510.15497 225.2
[M+CH3COO]- 524.17062 220.9
[M+Na-2H]- 486.13144 209.5
[M]+ 465.15622 218.5
[M]- 465.15732 218.5
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.