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]+ 253.11176 155.1
[M+Na]+ 275.09370 162.7
[M-H]- 251.09720 156.4
[M+NH4]+ 270.13830 170.3
[M+K]+ 291.06764 159.7
[M+H-H2O]+ 235.10174 146.5
[M+HCOO]- 297.10268 168.8
[M+CH3COO]- 311.11833 199.1
[M+Na-2H]- 273.07915 159.0
[M]+ 252.10393 157.4
[M]- 252.10503 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.