CID 474938

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

Structural Information

Molecular Formula
C16H19N5O5S
SMILES
CC(=O)OCCOCN1C2=C(C(=NS1(=O)=O)N)NC(=N2)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N5O5S/c1-11(22)26-8-7-25-10-21-16-14(15(17)20-27(21,23)24)18-13(19-16)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,17,20)(H,18,19)
InChIKey
ZRWDBVGLHNMIDS-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-benzyl-2,2-dioxo-5H-imidazo[4,5-c][1,2,6]thiadiazin-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.1107 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11798 186.3
[M+Na]+ 416.09992 195.3
[M-H]- 392.10342 187.6
[M+NH4]+ 411.14452 196.3
[M+K]+ 432.07386 190.3
[M+H-H2O]+ 376.10796 178.0
[M+HCOO]- 438.10890 198.4
[M+CH3COO]- 452.12455 215.7
[M+Na-2H]- 414.08537 188.0
[M]+ 393.11015 191.5
[M]- 393.11125 191.5
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.