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]+ 307.14412 172.7
[M+Na]+ 329.12606 180.9
[M-H]- 305.12956 178.5
[M+NH4]+ 324.17066 183.7
[M+K]+ 345.10000 174.2
[M+H-H2O]+ 289.13410 162.1
[M+HCOO]- 351.13504 192.9
[M+CH3COO]- 365.15069 183.2
[M+Na-2H]- 327.11151 177.9
[M]+ 306.13629 173.1
[M]- 306.13739 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.