CID 503149

2-[(4-amino-6-benzyl-2,2-dioxo-5h-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C14H17N5O4S
SMILES
C1=CC=C(C=C1)CC2=NC3=C(N2)C(=NS(=O)(=O)N3COCCO)N
InChI
InChI=1S/C14H17N5O4S/c15-13-12-14(19(9-23-7-6-20)24(21,22)18-13)17-11(16-12)8-10-4-2-1-3-5-10/h1-5,20H,6-9H2,(H2,15,18)(H,16,17)
InChIKey
XEAQRKNBOACLAZ-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-benzyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.10013 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10741 175.7
[M+Na]+ 374.08935 185.7
[M-H]- 350.09285 175.9
[M+NH4]+ 369.13395 187.0
[M+K]+ 390.06329 179.5
[M+H-H2O]+ 334.09739 167.9
[M+HCOO]- 396.09833 187.7
[M+CH3COO]- 410.11398 184.9
[M+Na-2H]- 372.07480 178.7
[M]+ 351.09958 178.5
[M]- 351.10068 178.5
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.