CID 9576165

5-(p-acetamidobenzylidene)-3-(p-acetamidobenzoylideneamino)rhodanine

Structural Information

Molecular Formula
C21H18N4O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)/N=C/C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C21H18N4O3S2/c1-13(26)23-17-7-3-15(4-8-17)11-19-20(28)25(21(29)30-19)22-12-16-5-9-18(10-6-16)24-14(2)27/h3-12H,1-2H3,(H,23,26)(H,24,27)/b19-11-,22-12+
InChIKey
DNJIYWACQQNUIM-TZRLVWCCSA-N
Compound name
N-[4-[(Z)-[3-[(E)-(4-acetamidophenyl)methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.08203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.08931 201.3
[M+Na]+ 461.07125 209.7
[M+NH4]+ 456.11585 206.3
[M+K]+ 477.04519 201.8
[M-H]- 437.07475 206.0
[M+Na-2H]- 459.05670 206.5
[M]+ 438.08148 204.2
[M]- 438.08258 204.2
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.