CID 10494866

132213-65-1

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-23-19-17(13-15-10-6-3-7-11-15)20-18(22)16(21-19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,22)
InChIKey
HDGSSKSUEFFBRK-UHFFFAOYSA-N
Compound name
3,6-dibenzyl-5-methoxy-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 172.7
[M+Na]+ 329.126058 180.9
[M-H]- 305.129564 178.5
[M+NH4]+ 324.170663 183.7
[M+K]+ 345.099998 174.2
[M+H-H2O]+ 289.134100 162.1
[M+HCOO]- 351.135041 192.9
[M+CH3COO]- 365.150691 183.2
[M+Na-2H]- 327.111506 177.9
[M]+ 306.13629142 173.1
[M]- 306.13738858 173.1
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.