CID 9611299

372173-30-3

Structural Information

Molecular Formula
C17H18N6O2
SMILES
CC(=C)CN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C
InChI
InChI=1S/C17H18N6O2/c1-11(2)10-23-13-14(22(3)17(25)20-15(13)24)19-16(23)21-18-9-12-7-5-4-6-8-12/h4-9H,1,10H2,2-3H3,(H,19,21)(H,20,24,25)/b18-9+
InChIKey
SNOGSRNNZPYVIP-GIJQJNRQSA-N
Compound name
8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1491 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15638 180.3
[M+Na]+ 361.13832 191.3
[M-H]- 337.14182 184.4
[M+NH4]+ 356.18292 191.1
[M+K]+ 377.11226 184.3
[M+H-H2O]+ 321.14636 170.0
[M+HCOO]- 383.14730 202.3
[M+CH3COO]- 397.16295 216.7
[M+Na-2H]- 359.12377 184.5
[M]+ 338.14855 183.4
[M]- 338.14965 183.4
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.