CID 3074717

Acetamide, 2-cyano-n-(6-methoxy-2-benzothiazolyl)-

Structural Information

Molecular Formula
C11H9N3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC#N
InChI
InChI=1S/C11H9N3O2S/c1-16-7-2-3-8-9(6-7)17-11(13-8)14-10(15)4-5-12/h2-3,6H,4H2,1H3,(H,13,14,15)
InChIKey
CUVZANUTVYRGHD-UHFFFAOYSA-N
Compound name
2-cyano-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04155 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04883 150.8
[M+Na]+ 270.03077 161.8
[M+NH4]+ 265.07537 155.3
[M+K]+ 286.00471 152.9
[M-H]- 246.03427 145.1
[M+Na-2H]- 268.01622 153.5
[M]+ 247.04100 150.2
[M]- 247.04210 150.2
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.