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 158.9
[M+Na]+ 270.03077 170.9
[M-H]- 246.03427 162.4
[M+NH4]+ 265.07537 176.4
[M+K]+ 286.00471 166.6
[M+H-H2O]+ 230.03881 145.7
[M+HCOO]- 292.03975 175.3
[M+CH3COO]- 306.05540 203.6
[M+Na-2H]- 268.01622 161.9
[M]+ 247.04100 159.0
[M]- 247.04210 159.0
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.