CID 9593739

332103-83-0

Structural Information

Molecular Formula
C21H28N6O6
SMILES
CC(C)OCC(CN1C2=C(N=C1N/N=C/C3=CC(=C(C=C3)OC)OC)N(C(=O)NC2=O)C)O
InChI
InChI=1S/C21H28N6O6/c1-12(2)33-11-14(28)10-27-17-18(26(3)21(30)24-19(17)29)23-20(27)25-22-9-13-6-7-15(31-4)16(8-13)32-5/h6-9,12,14,28H,10-11H2,1-5H3,(H,23,25)(H,24,29,30)/b22-9+
InChIKey
ONWKVRZKCQSZOK-LSFURLLWSA-N
Compound name
8-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.20703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.21431 208.3
[M+Na]+ 483.19625 216.5
[M-H]- 459.19975 211.3
[M+NH4]+ 478.24085 213.4
[M+K]+ 499.17019 212.7
[M+H-H2O]+ 443.20429 197.7
[M+HCOO]- 505.20523 226.7
[M+CH3COO]- 519.22088 239.7
[M+Na-2H]- 481.18170 208.5
[M]+ 460.20648 217.1
[M]- 460.20758 217.1
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.