CID 3041837

Brn 1032513

Structural Information

Molecular Formula
C14H14N4O3S
SMILES
CC(=O)NC1=NC2=C(S1)C3=C(C=C2)N(C=N3)CCOC(=O)C
InChI
InChI=1S/C14H14N4O3S/c1-8(19)16-14-17-10-3-4-11-12(13(10)22-14)15-7-18(11)5-6-21-9(2)20/h3-4,7H,5-6H2,1-2H3,(H,16,17,19)
InChIKey
DKSNYOAJBQSWMJ-UHFFFAOYSA-N
Compound name
2-(2-acetamidoimidazo[4,5-g][1,3]benzothiazol-6-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07867 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08595 171.3
[M+Na]+ 341.06789 182.5
[M+NH4]+ 336.11249 177.5
[M+K]+ 357.04183 179.1
[M-H]- 317.07139 171.2
[M+Na-2H]- 339.05334 174.4
[M]+ 318.07812 173.0
[M]- 318.07922 173.0
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.