CID 9570908

Ethanone, 1-(5-(3,4-dimethylphenyl)-2-thienyl)-, o-2-propenyloxime

Structural Information

Molecular Formula
C17H19NOS
SMILES
CC1=C(C=C(C=C1)C2=CC=C(S2)/C(=N/OCC=C)/C)C
InChI
InChI=1S/C17H19NOS/c1-5-10-19-18-14(4)16-8-9-17(20-16)15-7-6-12(2)13(3)11-15/h5-9,11H,1,10H2,2-4H3/b18-14+
InChIKey
DRWZYFLFTOVQIQ-NBVRZTHBSA-N
Compound name
(E)-1-[5-(3,4-dimethylphenyl)thiophen-2-yl]-N-prop-2-enoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.126016 167.9
[M+Na]+ 308.107958 176.2
[M-H]- 284.111464 176.5
[M+NH4]+ 303.152563 186.9
[M+K]+ 324.081898 171.6
[M+H-H2O]+ 268.116000 160.8
[M+HCOO]- 330.116941 189.0
[M+CH3COO]- 344.132591 206.0
[M+Na-2H]- 306.093406 166.5
[M]+ 285.11819142 172.9
[M]- 285.11928858 172.9
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.