CID 6481060

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

Structural Information

Molecular Formula
C19H19NOS
SMILES
CCCCN\1C2=CC=CC=C2S/C1=C\C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NOS/c1-2-3-13-20-16-11-7-8-12-18(16)22-19(20)14-17(21)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3/b19-14-
InChIKey
QMJNNNKVZCDULG-RGEXLXHISA-N
Compound name
(2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11874 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.126016 174.1
[M+Na]+ 332.107958 181.6
[M-H]- 308.111464 180.1
[M+NH4]+ 327.152563 191.0
[M+K]+ 348.081898 175.4
[M+H-H2O]+ 292.116000 166.5
[M+HCOO]- 354.116941 189.4
[M+CH3COO]- 368.132591 184.9
[M+Na-2H]- 330.093406 173.5
[M]+ 309.11819142 176.2
[M]- 309.11928858 176.2
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.