CID 6481059

(2z)-2-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)-1-phenyl-ethanone

Structural Information

Molecular Formula
C22H23NOS
SMILES
C1CCCC(CC1)N\2C3=CC=CC=C3S/C2=C\C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H23NOS/c24-20(17-10-4-3-5-11-17)16-22-23(18-12-6-1-2-7-13-18)19-14-8-9-15-21(19)25-22/h3-5,8-11,14-16,18H,1-2,6-7,12-13H2/b22-16-
InChIKey
KJNXINKTJCPPSE-JWGURIENSA-N
Compound name
(2Z)-2-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.15002 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.157296 187.8
[M+Na]+ 372.139238 190.8
[M-H]- 348.142744 196.5
[M+NH4]+ 367.183843 201.1
[M+K]+ 388.113178 188.1
[M+H-H2O]+ 332.147280 180.4
[M+HCOO]- 394.148221 198.9
[M+CH3COO]- 408.163871 195.9
[M+Na-2H]- 370.124686 184.4
[M]+ 349.14947142 181.0
[M]- 349.15056858 181.0
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.