CID 39084

N-methoxymethylphenobarbital

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)COC)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-3-14(10-7-5-4-6-8-10)11(17)15-13(19)16(9-20-2)12(14)18/h4-8H,3,9H2,1-2H3,(H,15,17,19)
InChIKey
NCBHGFZZIGBMJK-UHFFFAOYSA-N
Compound name
5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.111 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 161.2
[M+Na]+ 299.10022 169.5
[M-H]- 275.10372 164.0
[M+NH4]+ 294.14482 175.9
[M+K]+ 315.07416 165.9
[M+H-H2O]+ 259.10826 153.3
[M+HCOO]- 321.10920 178.4
[M+CH3COO]- 335.12485 196.2
[M+Na-2H]- 297.08567 164.5
[M]+ 276.11045 160.8
[M]- 276.11155 160.8
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

patents stripe