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]+ 350.15730 187.8
[M+Na]+ 372.13924 190.8
[M-H]- 348.14274 196.5
[M+NH4]+ 367.18384 201.1
[M+K]+ 388.11318 188.1
[M+H-H2O]+ 332.14728 180.4
[M+HCOO]- 394.14822 198.9
[M+CH3COO]- 408.16387 195.9
[M+Na-2H]- 370.12469 184.4
[M]+ 349.14947 181.0
[M]- 349.15057 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.