CID 2146484

853347-88-3

Structural Information

Molecular Formula
C15H15NOS
SMILES
CCC1=CC=CC=C1NC(=O)/C=C/C2=CC=CS2
InChI
InChI=1S/C15H15NOS/c1-2-12-6-3-4-8-14(12)16-15(17)10-9-13-7-5-11-18-13/h3-11H,2H2,1H3,(H,16,17)/b10-9+
InChIKey
ZNFUCGHVLXJKPB-MDZDMXLPSA-N
Compound name
(E)-N-(2-ethylphenyl)-3-thiophen-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09471 160.1
[M+Na]+ 280.07665 167.3
[M-H]- 256.08015 167.0
[M+NH4]+ 275.12125 179.1
[M+K]+ 296.05059 162.2
[M+H-H2O]+ 240.08469 153.2
[M+HCOO]- 302.08563 180.5
[M+CH3COO]- 316.10128 194.5
[M+Na-2H]- 278.06210 160.7
[M]+ 257.08688 161.7
[M]- 257.08798 161.7
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.