CID 3053828

Brn 1178541

Structural Information

Molecular Formula
C16H18N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H18N6O3/c1-19(14(23)11-5-4-6-17-9-11)7-8-22-10-18-13-12(22)15(24)21(3)16(25)20(13)2/h4-6,9-10H,7-8H2,1-3H3
InChIKey
NRLRGFVPLPYYJQ-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14404 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15132 179.9
[M+Na]+ 365.13326 191.7
[M-H]- 341.13676 184.2
[M+NH4]+ 360.17786 190.0
[M+K]+ 381.10720 187.2
[M+H-H2O]+ 325.14130 169.1
[M+HCOO]- 387.14224 200.1
[M+CH3COO]- 401.15789 217.6
[M+Na-2H]- 363.11871 183.2
[M]+ 342.14349 186.9
[M]- 342.14459 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.