CID 670433

1-(3-methyl-3h-benzothiazol-2-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 143.8
[M+Na]+ 228.04536 153.4
[M-H]- 204.04886 147.5
[M+NH4]+ 223.08996 165.5
[M+K]+ 244.01930 149.7
[M+H-H2O]+ 188.05340 138.4
[M+HCOO]- 250.05434 160.2
[M+CH3COO]- 264.06999 184.2
[M+Na-2H]- 226.03081 145.0
[M]+ 205.05559 145.7
[M]- 205.05669 145.7
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.