CID 135429818

Nsc70308

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCOC(CCC1=C(N=C(NC1=O)NC(=O)C)C)OCC
InChI
InChI=1S/C14H23N3O4/c1-5-20-12(21-6-2)8-7-11-9(3)15-14(16-10(4)18)17-13(11)19/h12H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKey
YNWTXNHRPVVSIY-UHFFFAOYSA-N
Compound name
N-[5-(3,3-diethoxypropyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.16885 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.176126 169.8
[M+Na]+ 320.158068 176.3
[M-H]- 296.161574 169.4
[M+NH4]+ 315.202673 181.8
[M+K]+ 336.132008 174.1
[M+H-H2O]+ 280.166110 161.5
[M+HCOO]- 342.167051 188.9
[M+CH3COO]- 356.182701 205.5
[M+Na-2H]- 318.143516 170.9
[M]+ 297.16830142 174.1
[M]- 297.16939858 174.1
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.