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 206.8
[M+Na]+ 461.16964 216.7
[M-H]- 437.17314 214.4
[M+NH4]+ 456.21424 213.5
[M+K]+ 477.14358 207.7
[M+H-H2O]+ 421.17768 194.1
[M+HCOO]- 483.17862 226.1
[M+CH3COO]- 497.19427 215.1
[M+Na-2H]- 459.15509 211.4
[M]+ 438.17987 209.4
[M]- 438.18097 209.4
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.