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]+ 310.12602 174.1
[M+Na]+ 332.10796 181.6
[M-H]- 308.11146 180.1
[M+NH4]+ 327.15256 191.0
[M+K]+ 348.08190 175.4
[M+H-H2O]+ 292.11600 166.5
[M+HCOO]- 354.11694 189.4
[M+CH3COO]- 368.13259 184.9
[M+Na-2H]- 330.09341 173.5
[M]+ 309.11819 176.2
[M]- 309.11929 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.