CID 3043634

2h-pyrazino(2,3-b)-1,4-thiazin-3(4h)-one, 4-(3-(dimethylamino)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4OS
SMILES
CN(C)CCCN1C(=O)CSC2=NC=CN=C21
InChI
InChI=1S/C11H16N4OS/c1-14(2)6-3-7-15-9(16)8-17-11-10(15)12-4-5-13-11/h4-5H,3,6-8H2,1-2H3
InChIKey
HRZLIUDSFWBIFN-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]pyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10448 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.111756 155.1
[M+Na]+ 275.093698 162.7
[M-H]- 251.097204 156.4
[M+NH4]+ 270.138303 170.3
[M+K]+ 291.067638 159.7
[M+H-H2O]+ 235.101740 146.5
[M+HCOO]- 297.102681 168.8
[M+CH3COO]- 311.118331 199.1
[M+Na-2H]- 273.079146 159.0
[M]+ 252.10393142 157.4
[M]- 252.10502858 157.4
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.