CID 6481057

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

Structural Information

Molecular Formula
C17H21NOS
SMILES
CC(=O)/C=C\1/N(C2=CC=CC=C2S1)C3CCCCCC3
InChI
InChI=1S/C17H21NOS/c1-13(19)12-17-18(14-8-4-2-3-5-9-14)15-10-6-7-11-16(15)20-17/h6-7,10-12,14H,2-5,8-9H2,1H3/b17-12-
InChIKey
ZKSDZKVXQYXSAX-ATVHPVEESA-N
Compound name
(1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 169.2
[M+Na]+ 310.12362 172.6
[M-H]- 286.12712 175.3
[M+NH4]+ 305.16822 185.4
[M+K]+ 326.09756 171.4
[M+H-H2O]+ 270.13166 162.7
[M+HCOO]- 332.13260 180.3
[M+CH3COO]- 346.14825 178.4
[M+Na-2H]- 308.10907 166.2
[M]+ 287.13385 163.2
[M]- 287.13495 163.2
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.