CID 476176

1-[4-[[5-(4-acetylphenyl)imino-2,4-diethyl-1,2,4-thiadiazolidin-3-ylidene]amino]phenyl]ethanone

Structural Information

Molecular Formula
C22H24N4O2S
SMILES
CCN1C(=NC2=CC=C(C=C2)C(=O)C)N(SC1=NC3=CC=C(C=C3)C(=O)C)CC
InChI
InChI=1S/C22H24N4O2S/c1-5-25-21(23-19-11-7-17(8-12-19)15(3)27)26(6-2)29-22(25)24-20-13-9-18(10-14-20)16(4)28/h7-14H,5-6H2,1-4H3
InChIKey
BJMDFHANWDXQEC-UHFFFAOYSA-N
Compound name
1-[4-[[5-(4-acetylphenyl)imino-2,4-diethyl-1,2,4-thiadiazolidin-3-ylidene]amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.162 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16928 200.1
[M+Na]+ 431.15122 208.8
[M-H]- 407.15472 210.9
[M+NH4]+ 426.19582 211.5
[M+K]+ 447.12516 202.8
[M+H-H2O]+ 391.15926 189.7
[M+HCOO]- 453.16020 220.3
[M+CH3COO]- 467.17585 232.6
[M+Na-2H]- 429.13667 197.5
[M]+ 408.16145 206.4
[M]- 408.16255 206.4
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.