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 204.1
[M+Na]+ 461.07125 210.0
[M-H]- 437.07475 213.1
[M+NH4]+ 456.11585 214.2
[M+K]+ 477.04519 202.2
[M+H-H2O]+ 421.07929 195.3
[M+HCOO]- 483.08023 217.3
[M+CH3COO]- 497.09588 233.8
[M+Na-2H]- 459.05670 200.6
[M]+ 438.08148 205.0
[M]- 438.08258 205.0
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.