CID 1666391

77261-19-9

Structural Information

Molecular Formula
C22H19NO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H19NO3S/c1-2-26-22(25)20-18(17-11-7-4-8-12-17)15-27-21(20)23-19(24)14-13-16-9-5-3-6-10-16/h3-15H,2H2,1H3,(H,23,24)/b14-13+
InChIKey
MBVFVPLZFFRZEA-BUHFOSPRSA-N
Compound name
ethyl 4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10855 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11583 190.5
[M+Na]+ 400.09777 202.6
[M+NH4]+ 395.14237 197.7
[M+K]+ 416.07171 194.5
[M-H]- 376.10127 196.1
[M+Na-2H]- 398.08322 198.8
[M]+ 377.10800 194.2
[M]- 377.10910 194.2
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.