CID 75609996

881463-45-2

Structural Information

Molecular Formula
C24H27N3O4S
SMILES
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=O)NN=CC(=CC3=CC=CC=C3)C
InChI
InChI=1S/C24H27N3O4S/c1-4-31-24(30)20-18-11-10-15(2)13-19(18)32-23(20)26-21(28)22(29)27-25-14-16(3)12-17-8-6-5-7-9-17/h5-9,12,14-15H,4,10-11,13H2,1-3H3,(H,26,28)(H,27,29)
InChIKey
ZQPIMJCFQFITOW-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-[[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.17224 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17952 208.1
[M+Na]+ 476.16146 213.9
[M+NH4]+ 471.20606 212.7
[M+K]+ 492.13540 208.7
[M-H]- 452.16496 210.9
[M+Na-2H]- 474.14691 210.5
[M]+ 453.17169 209.5
[M]- 453.17279 209.5
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.