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]+ 298.17613 169.8
[M+Na]+ 320.15807 176.3
[M-H]- 296.16157 169.4
[M+NH4]+ 315.20267 181.8
[M+K]+ 336.13201 174.1
[M+H-H2O]+ 280.16611 161.5
[M+HCOO]- 342.16705 188.9
[M+CH3COO]- 356.18270 205.5
[M+Na-2H]- 318.14352 170.9
[M]+ 297.16830 174.1
[M]- 297.16940 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.