CID 3791921

2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl]acetohydrazide

Structural Information

Molecular Formula
C17H20N6O4
SMILES
COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NN
InChI
InChI=1S/C17H20N6O4/c1-27-8-7-21-11-19-15-14(21)16(25)23(10-13(24)20-18)17(26)22(15)9-12-5-3-2-4-6-12/h2-6,11H,7-10,18H2,1H3,(H,20,24)
InChIKey
JCQSDMUIUNXAIN-UHFFFAOYSA-N
Compound name
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

372.1546 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16188 185.5
[M+Na]+ 395.14382 197.4
[M+NH4]+ 390.18842 188.7
[M+K]+ 411.11776 194.6
[M-H]- 371.14732 186.4
[M+Na-2H]- 393.12927 190.2
[M]+ 372.15405 186.9
[M]- 372.15515 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.