CID 670433

(1z)-1-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)propan-2-one

Structural Information

Molecular Formula
C11H11NOS
SMILES
CC(=O)/C=C\1/N(C2=CC=CC=C2S1)C
InChI
InChI=1S/C11H11NOS/c1-8(13)7-11-12(2)9-5-3-4-6-10(9)14-11/h3-7H,1-2H3/b11-7-
InChIKey
MMGDXFPDKJNCAM-XFFZJAGNSA-N
Compound name
(1Z)-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06342 145.1
[M+Na]+ 228.04536 156.9
[M+NH4]+ 223.08996 154.2
[M+K]+ 244.01930 149.9
[M-H]- 204.04886 146.7
[M+Na-2H]- 226.03081 149.2
[M]+ 205.05559 147.6
[M]- 205.05669 147.6
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.