CID 503152

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

Structural Information

Molecular Formula
C16H19N5O5S
SMILES
CC(=O)OCCOCN1C=NC2=C1N(S(=O)(=O)N=C2N)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N5O5S/c1-12(22)26-8-7-25-11-20-10-18-14-15(17)19-27(23,24)21(16(14)20)9-13-5-3-2-4-6-13/h2-6,10H,7-9,11H2,1H3,(H2,17,19)
InChIKey
NPMSQMNRCVYPQN-UHFFFAOYSA-N
Compound name
2-[(4-amino-1-benzyl-2,2-dioxoimidazo[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

393.1107 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11798 186.4
[M+Na]+ 416.09992 195.8
[M-H]- 392.10342 189.0
[M+NH4]+ 411.14452 197.1
[M+K]+ 432.07386 191.7
[M+H-H2O]+ 376.10796 177.7
[M+HCOO]- 438.10890 199.9
[M+CH3COO]- 452.12455 217.8
[M+Na-2H]- 414.08537 188.4
[M]+ 393.11015 193.3
[M]- 393.11125 193.3
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.