CID 6481055

(1z)-1-(3-cyclobutyl-6-methyl-1,3-benzothiazol-2-ylidene)-3-methyl-butan-2-one

Structural Information

Molecular Formula
C17H21NOS
SMILES
CC1=CC2=C(C=C1)N(/C(=C/C(=O)C(C)C)/S2)C3CCC3
InChI
InChI=1S/C17H21NOS/c1-11(2)15(19)10-17-18(13-5-4-6-13)14-8-7-12(3)9-16(14)20-17/h7-11,13H,4-6H2,1-3H3/b17-10-
InChIKey
IRVHQQUCNVVSDM-YVLHZVERSA-N
Compound name
(1Z)-1-(3-cyclobutyl-6-methyl-1,3-benzothiazol-2-ylidene)-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 165.7
[M+Na]+ 310.12362 170.5
[M-H]- 286.12712 171.2
[M+NH4]+ 305.16822 177.0
[M+K]+ 326.09756 169.3
[M+H-H2O]+ 270.13166 153.6
[M+HCOO]- 332.13260 177.1
[M+CH3COO]- 346.14825 205.1
[M+Na-2H]- 308.10907 161.7
[M]+ 287.13385 175.0
[M]- 287.13495 175.0
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.