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]+ 206.063416 143.8
[M+Na]+ 228.045358 153.4
[M-H]- 204.048864 147.5
[M+NH4]+ 223.089963 165.5
[M+K]+ 244.019298 149.7
[M+H-H2O]+ 188.053400 138.4
[M+HCOO]- 250.054341 160.2
[M+CH3COO]- 264.069991 184.2
[M+Na-2H]- 226.030806 145.0
[M]+ 205.05559142 145.7
[M]- 205.05668858 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.