CID 3045243

Brn 1184158

Structural Information

Molecular Formula
C17H20N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C17H20N6O4/c1-20(15(25)11-4-6-18-7-5-11)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
SGESLCGQWCENLP-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-methylpyridine-4-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]+ 373.16188 186.2
[M+Na]+ 395.14382 196.4
[M-H]- 371.14732 189.2
[M+NH4]+ 390.18842 194.2
[M+K]+ 411.11776 192.3
[M+H-H2O]+ 355.15186 175.7
[M+HCOO]- 417.15280 203.9
[M+CH3COO]- 431.16845 221.4
[M+Na-2H]- 393.12927 187.9
[M]+ 372.15405 192.6
[M]- 372.15515 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.