CID 16728323

2-[3-[[3-(ethoxymethyl)-5-ethyl-2,6-dioxo-pyrimidin-4-yl]methyl]phenoxy]acetaldehyde oxime

Structural Information

Molecular Formula
C18H23N3O5
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC=C2)OCC=NO
InChI
InChI=1S/C18H23N3O5/c1-3-15-16(21(12-25-4-2)18(23)20-17(15)22)11-13-6-5-7-14(10-13)26-9-8-19-24/h5-8,10,24H,3-4,9,11-12H2,1-2H3,(H,20,22,23)
InChIKey
AUUSMKHWTMZANQ-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-[[3-(2-hydroxyiminoethoxy)phenyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.16376 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 184.0
[M+Na]+ 384.15298 192.2
[M-H]- 360.15648 187.2
[M+NH4]+ 379.19758 193.3
[M+K]+ 400.12692 187.5
[M+H-H2O]+ 344.16102 173.9
[M+HCOO]- 406.16196 205.2
[M+CH3COO]- 420.17761 215.8
[M+Na-2H]- 382.13843 186.5
[M]+ 361.16321 189.7
[M]- 361.16431 189.7
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.