CID 6481061

(4z)-1-benzyl-4-(3-butyl-1,3-benzothiazol-2-ylidene)piperidin-3-one

Structural Information

Molecular Formula
C23H26N2OS
SMILES
CCCCN\1C2=CC=CC=C2S/C1=C\3/CCN(CC3=O)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2OS/c1-2-3-14-25-20-11-7-8-12-22(20)27-23(25)19-13-15-24(17-21(19)26)16-18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3/b23-19-
InChIKey
DXFPIWJKBJZKOO-NMWGTECJSA-N
Compound name
(4Z)-1-benzyl-4-(3-butyl-1,3-benzothiazol-2-ylidene)piperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.17657 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18385 193.3
[M+Na]+ 401.16579 199.4
[M-H]- 377.16929 200.1
[M+NH4]+ 396.21039 205.8
[M+K]+ 417.13973 191.6
[M+H-H2O]+ 361.17383 183.7
[M+HCOO]- 423.17477 204.1
[M+CH3COO]- 437.19042 201.6
[M+Na-2H]- 399.15124 189.7
[M]+ 378.17602 191.7
[M]- 378.17712 191.7
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.