CID 135630648

7-(2-hydroxyethyl)-8-{(2e)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-3-methyl-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C16H18N6O4
SMILES
C/C(=N\NC1=NC2=C(N1CCO)C(=O)NC(=O)N2C)/C3=CC=CC=C3O
InChI
InChI=1S/C16H18N6O4/c1-9(10-5-3-4-6-11(10)24)19-20-15-17-13-12(22(15)7-8-23)14(25)18-16(26)21(13)2/h3-6,23-24H,7-8H2,1-2H3,(H,17,20)(H,18,25,26)/b19-9+
InChIKey
VZLYJXXYCSMILO-DJKKODMXSA-N
Compound name
7-(2-hydroxyethyl)-8-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13895 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14623 182.6
[M+Na]+ 381.12817 193.1
[M-H]- 357.13167 184.7
[M+NH4]+ 376.17277 191.4
[M+K]+ 397.10211 187.0
[M+H-H2O]+ 341.13621 173.1
[M+HCOO]- 403.13715 202.1
[M+CH3COO]- 417.15280 216.3
[M+Na-2H]- 379.11362 186.1
[M]+ 358.13840 185.6
[M]- 358.13950 185.6
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.