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 192.4
[M+Na]+ 400.09777 198.2
[M-H]- 376.10127 202.1
[M+NH4]+ 395.14237 205.8
[M+K]+ 416.07171 192.3
[M+H-H2O]+ 360.10581 183.8
[M+HCOO]- 422.10675 211.4
[M+CH3COO]- 436.12240 215.9
[M+Na-2H]- 398.08322 190.4
[M]+ 377.10800 195.5
[M]- 377.10910 195.5
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.