CID 3040996

4-benzyl-2-methyl-2h-pyrazino(2,3-b)-1,4-thiazin-3(4h)-one

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CC1C(=O)N(C2=NC=CN=C2S1)CC3=CC=CC=C3
InChI
InChI=1S/C14H13N3OS/c1-10-14(18)17(9-11-5-3-2-4-6-11)12-13(19-10)16-8-7-15-12/h2-8,10H,9H2,1H3
InChIKey
CBVMNDWMJSEVOQ-UHFFFAOYSA-N
Compound name
4-benzyl-2-methylpyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 160.0
[M+Na]+ 294.06716 169.5
[M-H]- 270.07066 163.5
[M+NH4]+ 289.11176 173.9
[M+K]+ 310.04110 163.7
[M+H-H2O]+ 254.07520 150.9
[M+HCOO]- 316.07614 172.8
[M+CH3COO]- 330.09179 170.9
[M+Na-2H]- 292.05261 164.2
[M]+ 271.07739 160.6
[M]- 271.07849 160.6
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.