CID 4368459

2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl]acetamide

Structural Information

Molecular Formula
C14H20N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCOCC3)CC(=O)N
InChI
InChI=1S/C14H20N6O4/c1-17-12-11(13(22)18(2)14(17)23)20(7-9(15)21)10(16-12)8-19-3-5-24-6-4-19/h3-8H2,1-2H3,(H2,15,21)
InChIKey
HBZWCEJZXVFKLN-UHFFFAOYSA-N
Compound name
2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1546 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16188 180.5
[M+Na]+ 359.14382 191.0
[M-H]- 335.14732 182.9
[M+NH4]+ 354.18842 188.6
[M+K]+ 375.11776 187.3
[M+H-H2O]+ 319.15186 170.3
[M+HCOO]- 381.15280 195.2
[M+CH3COO]- 395.16845 213.8
[M+Na-2H]- 357.12927 180.8
[M]+ 336.15405 183.0
[M]- 336.15515 183.0
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.