CID 4435372

476480-41-8

Structural Information

Molecular Formula
C18H18N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H18N6O2/c1-22-15-14(16(25)23(2)18(22)26)24(17(20-15)21-19)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10,19H2,1-2H3,(H,20,21)
InChIKey
DRFXAYLPHRBXET-UHFFFAOYSA-N
Compound name
8-hydrazinyl-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1491 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15638 184.9
[M+Na]+ 373.13832 198.1
[M-H]- 349.14182 190.1
[M+NH4]+ 368.18292 196.4
[M+K]+ 389.11226 190.6
[M+H-H2O]+ 333.14636 174.5
[M+HCOO]- 395.14730 206.0
[M+CH3COO]- 409.16295 195.8
[M+Na-2H]- 371.12377 189.9
[M]+ 350.14855 189.0
[M]- 350.14965 189.0
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.