CID 9570908

Brn 4456668

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]+ 286.12602 167.9
[M+Na]+ 308.10796 176.2
[M-H]- 284.11146 176.5
[M+NH4]+ 303.15256 186.9
[M+K]+ 324.08190 171.6
[M+H-H2O]+ 268.11600 160.8
[M+HCOO]- 330.11694 189.0
[M+CH3COO]- 344.13259 206.0
[M+Na-2H]- 306.09341 166.5
[M]+ 285.11819 172.9
[M]- 285.11929 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.