CID 462085

156698-69-0

Structural Information

Molecular Formula
C15H19N7O3
SMILES
COC1=CC(=CC(=C1OC)OC)NCC2=NC3=NC(=NC(=C3N2)N)N
InChI
InChI=1S/C15H19N7O3/c1-23-8-4-7(5-9(24-2)12(8)25-3)18-6-10-19-11-13(16)21-15(17)22-14(11)20-10/h4-5,18H,6H2,1-3H3,(H5,16,17,19,20,21,22)
InChIKey
VOUIYXLUJHGZHZ-UHFFFAOYSA-N
Compound name
8-[(3,4,5-trimethoxyanilino)methyl]-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15494 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16222 179.1
[M+Na]+ 368.14416 189.3
[M-H]- 344.14766 181.6
[M+NH4]+ 363.18876 188.6
[M+K]+ 384.11810 184.2
[M+H-H2O]+ 328.15220 169.1
[M+HCOO]- 390.15314 200.6
[M+CH3COO]- 404.16879 219.2
[M+Na-2H]- 366.12961 183.5
[M]+ 345.15439 182.4
[M]- 345.15549 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.