CID 135632127

4-hydroxybenzaldehyde [3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]hydrazone

Structural Information

Molecular Formula
C24H20N6O3
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H20N6O3/c1-29-21-20(22(32)27-24(29)33)30(14-17-7-4-6-16-5-2-3-8-19(16)17)23(26-21)28-25-13-15-9-11-18(31)12-10-15/h2-13,31H,14H2,1H3,(H,26,28)(H,27,32,33)/b25-13+
InChIKey
PVKUFKJCYWFSCD-DHRITJCHSA-N
Compound name
8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16698 206.7
[M+Na]+ 463.14892 223.4
[M+NH4]+ 458.19352 211.7
[M+K]+ 479.12286 216.9
[M-H]- 439.15242 212.1
[M+Na-2H]- 461.13437 214.8
[M]+ 440.15915 210.5
[M]- 440.16025 210.5
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.