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 185.7
[M+Na]+ 395.14382 195.6
[M-H]- 371.14732 189.2
[M+NH4]+ 390.18842 194.6
[M+K]+ 411.11776 190.5
[M+H-H2O]+ 355.15186 175.0
[M+HCOO]- 417.15280 207.1
[M+CH3COO]- 431.16845 221.5
[M+Na-2H]- 393.12927 189.2
[M]+ 372.15405 191.1
[M]- 372.15515 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.