CID 9644600

3-methyl-7-(1-naphthylmethyl)-8-[(2e)-2-(1-phenylethylidene)hydrazino]-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C25H22N6O2
SMILES
C/C(=N\NC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C)/C5=CC=CC=C5
InChI
InChI=1S/C25H22N6O2/c1-16(17-9-4-3-5-10-17)28-29-24-26-22-21(23(32)27-25(33)30(22)2)31(24)15-19-13-8-12-18-11-6-7-14-20(18)19/h3-14H,15H2,1-2H3,(H,26,29)(H,27,32,33)/b28-16+
InChIKey
WTQZPPPVZNRFFC-LQKURTRISA-N
Compound name
3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.18042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18770 206.0
[M+Na]+ 461.16964 222.7
[M+NH4]+ 456.21424 211.6
[M+K]+ 477.14358 215.8
[M-H]- 437.17314 211.9
[M+Na-2H]- 459.15509 214.9
[M]+ 438.17987 210.0
[M]- 438.18097 210.0
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.