CID 3074716

2-cyano-n-(4-methyl-2-benzothiazolyl)acetamide

Structural Information

Molecular Formula
C11H9N3OS
SMILES
CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC#N
InChI
InChI=1S/C11H9N3OS/c1-7-3-2-4-8-10(7)14-11(16-8)13-9(15)5-6-12/h2-4H,5H2,1H3,(H,13,14,15)
InChIKey
IAYWDBNJLASWPG-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04663 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05391 156.6
[M+Na]+ 254.03585 168.9
[M-H]- 230.03935 160.1
[M+NH4]+ 249.08045 174.7
[M+K]+ 270.00979 163.9
[M+H-H2O]+ 214.04389 143.5
[M+HCOO]- 276.04483 172.7
[M+CH3COO]- 290.06048 201.8
[M+Na-2H]- 252.02130 159.4
[M]+ 231.04608 155.5
[M]- 231.04718 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.