CID 3043638

2h-pyrazino(2,3-b)-1,4-thiazin-3(4h)-one, 4-(2-(diethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H18N4OS
SMILES
CCN(CC)CCN1C(=O)CSC2=NC=CN=C21
InChI
InChI=1S/C12H18N4OS/c1-3-15(4-2)7-8-16-10(17)9-18-12-11(16)13-5-6-14-12/h5-6H,3-4,7-9H2,1-2H3
InChIKey
DRPIFYFODHKMRA-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12012 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12740 159.4
[M+Na]+ 289.10934 166.6
[M-H]- 265.11284 160.5
[M+NH4]+ 284.15394 174.0
[M+K]+ 305.08328 163.3
[M+H-H2O]+ 249.11738 150.6
[M+HCOO]- 311.11832 172.8
[M+CH3COO]- 325.13397 202.0
[M+Na-2H]- 287.09479 162.9
[M]+ 266.11957 162.1
[M]- 266.12067 162.1
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.