CID 3045244

69517-65-3

Structural Information

Molecular Formula
C17H20N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C17H20N6O4/c1-20(15(25)11-5-4-6-18-7-11)8-12(24)9-23-10-19-14-13(23)16(26)22(3)17(27)21(14)2/h4-7,10,12,24H,8-9H2,1-3H3
InChIKey
FZURPHWDTALDFA-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.161876 186.2
[M+Na]+ 395.143818 196.4
[M-H]- 371.147324 189.2
[M+NH4]+ 390.188423 194.2
[M+K]+ 411.117758 192.3
[M+H-H2O]+ 355.151860 175.7
[M+HCOO]- 417.152801 203.9
[M+CH3COO]- 431.168451 221.4
[M+Na-2H]- 393.129266 187.9
[M]+ 372.15405142 192.6
[M]- 372.15514858 192.6
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.