CID 135570602

2(5h)-thiophenone, 3-acetyl-5-(p-(dimethylamino)benzylidene)-4-hydroxy-

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CC(=O)C1=C(/C(=C/C2=CC=C(C=C2)N(C)C)/SC1=O)O
InChI
InChI=1S/C15H15NO3S/c1-9(17)13-14(18)12(20-15(13)19)8-10-4-6-11(7-5-10)16(2)3/h4-8,18H,1-3H3/b12-8-
InChIKey
WPNIQTKNFBKDRK-WQLSENKSSA-N
Compound name
(5Z)-3-acetyl-5-[[4-(dimethylamino)phenyl]methylidene]-4-hydroxythiophen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 165.6
[M+Na]+ 312.06649 173.7
[M-H]- 288.06999 173.2
[M+NH4]+ 307.11109 183.6
[M+K]+ 328.04043 169.9
[M+H-H2O]+ 272.07453 159.4
[M+HCOO]- 334.07547 183.9
[M+CH3COO]- 348.09112 203.3
[M+Na-2H]- 310.05194 162.7
[M]+ 289.07672 168.6
[M]- 289.07782 168.6
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.