CID 2807726

Ns00015896

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
CCOC(=O)C1=C(SC=C1C)NC(=O)C(=CC2=CC=C(C=C2)O)C#N
InChI
InChI=1S/C18H16N2O4S/c1-3-24-18(23)15-11(2)10-25-17(15)20-16(22)13(9-19)8-12-4-6-14(21)7-5-12/h4-8,10,21H,3H2,1-2H3,(H,20,22)
InChIKey
LVZMHCWZRSCWJB-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.08307 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.090346 194.8
[M+Na]+ 379.072288 203.0
[M-H]- 355.075794 199.6
[M+NH4]+ 374.116893 207.3
[M+K]+ 395.046228 198.0
[M+H-H2O]+ 339.080330 181.1
[M+HCOO]- 401.081271 207.7
[M+CH3COO]- 415.096921 220.3
[M+Na-2H]- 377.057736 190.1
[M]+ 356.08252142 192.7
[M]- 356.08361858 192.7
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.