CID 503151

2-[(4-amino-1-benzyl-2,2-dioxo-6-phenyl-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C22H23N5O5S
SMILES
CC(=O)OCCOCN1C2=C(C(=NS(=O)(=O)N2CC3=CC=CC=C3)N)N=C1C4=CC=CC=C4
InChI
InChI=1S/C22H23N5O5S/c1-16(28)32-13-12-31-15-26-21(18-10-6-3-7-11-18)24-19-20(23)25-33(29,30)27(22(19)26)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H2,23,25)
InChIKey
HFOFDPDTECGNKE-UHFFFAOYSA-N
Compound name
2-[(4-amino-1-benzyl-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-7-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.14928 207.8
[M+Na]+ 492.13122 216.6
[M-H]- 468.13472 213.5
[M+NH4]+ 487.17582 214.9
[M+K]+ 508.10516 210.9
[M+H-H2O]+ 452.13926 197.4
[M+HCOO]- 514.14020 220.6
[M+CH3COO]- 528.15585 215.6
[M+Na-2H]- 490.11667 208.7
[M]+ 469.14145 214.4
[M]- 469.14255 214.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.