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]+ 373.161876 185.7
[M+Na]+ 395.143818 195.6
[M-H]- 371.147324 189.2
[M+NH4]+ 390.188423 194.6
[M+K]+ 411.117758 190.5
[M+H-H2O]+ 355.151860 175.0
[M+HCOO]- 417.152801 207.1
[M+CH3COO]- 431.168451 221.5
[M+Na-2H]- 393.129266 189.2
[M]+ 372.15405142 191.1
[M]- 372.15514858 191.1
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.