CID 9588267

Brn 4916364

Structural Information

Molecular Formula
C21H18N2O2S
SMILES
C1CSC(=NC(=O)/C=C/C2=CC=CC=C2)N1C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H18N2O2S/c24-19(13-11-17-7-3-1-4-8-17)22-21-23(15-16-26-21)20(25)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2/b13-11+,14-12+,22-21?
InChIKey
YFUWMVYLGRIFMR-KERUWVNQSA-N
Compound name
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidin-2-ylidene]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1089 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11618 189.3
[M+Na]+ 385.09812 194.2
[M-H]- 361.10162 198.2
[M+NH4]+ 380.14272 202.5
[M+K]+ 401.07206 187.7
[M+H-H2O]+ 345.10616 180.0
[M+HCOO]- 407.10710 206.4
[M+CH3COO]- 421.12275 212.6
[M+Na-2H]- 383.08357 186.9
[M]+ 362.10835 188.4
[M]- 362.10945 188.4
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.