CID 51060953

Ethyl 2-(((2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)(oxo)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Structural Information

Molecular Formula
C23H25N3O4S
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)N/N=C/C(=C\C3=CC=CC=C3)/C
InChI
InChI=1S/C23H25N3O4S/c1-3-30-23(29)19-17-11-7-8-12-18(17)31-22(19)25-20(27)21(28)26-24-14-15(2)13-16-9-5-4-6-10-16/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H,25,27)(H,26,28)/b15-13-,24-14+
InChIKey
AAMIDXYMLZHQLK-UGGYJGLUSA-N
Compound name
ethyl 2-[[2-[(2E)-2-[(Z)-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

439.1566 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16388 203.6
[M+Na]+ 462.14582 209.1
[M+NH4]+ 457.19042 208.3
[M+K]+ 478.11976 204.1
[M-H]- 438.14932 206.3
[M+Na-2H]- 460.13127 206.5
[M]+ 439.15605 204.9
[M]- 439.15715 204.9
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.