CID 473566

8-(3,4,5-trimethoxyphenyl)-9h-purine-2,6-diamine

Structural Information

Molecular Formula
C14H16N6O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=NC(=NC(=C3N2)N)N
InChI
InChI=1S/C14H16N6O3/c1-21-7-4-6(5-8(22-2)10(7)23-3)12-17-9-11(15)18-14(16)20-13(9)19-12/h4-5H,1-3H3,(H5,15,16,17,18,19,20)
InChIKey
QPWGTISXOSFSHJ-UHFFFAOYSA-N
Compound name
8-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.1284 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13568 173.1
[M+Na]+ 339.11762 184.8
[M-H]- 315.12112 175.7
[M+NH4]+ 334.16222 184.1
[M+K]+ 355.09156 179.6
[M+H-H2O]+ 299.12566 163.5
[M+HCOO]- 361.12660 193.8
[M+CH3COO]- 375.14225 183.9
[M+Na-2H]- 337.10307 177.0
[M]+ 316.12785 176.7
[M]- 316.12895 176.7
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.