CID 392943

Nsc694154

Structural Information

Molecular Formula
C18H22N2O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCCOC(=O)C)CC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O5/c1-13-16(11-15-7-4-3-5-8-15)20(18(23)19-17(13)22)12-24-9-6-10-25-14(2)21/h3-5,7-8H,6,9-12H2,1-2H3,(H,19,22,23)
InChIKey
JHMYDEWEMJEPMV-UHFFFAOYSA-N
Compound name
3-[(6-benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16014 179.8
[M+Na]+ 369.14208 187.8
[M-H]- 345.14558 182.7
[M+NH4]+ 364.18668 189.7
[M+K]+ 385.11602 183.5
[M+H-H2O]+ 329.15012 170.0
[M+HCOO]- 391.15106 199.0
[M+CH3COO]- 405.16671 210.0
[M+Na-2H]- 367.12753 181.4
[M]+ 346.15231 185.2
[M]- 346.15341 185.2
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.