CID 9588724

139207-49-1

Structural Information

Molecular Formula
C30H30N4O4S2
SMILES
CCC1=CC=CC=C1NCN2C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)N/N=C(\C)/C4=CC=C(C=C4)OC)/SC2=S
InChI
InChI=1S/C30H30N4O4S2/c1-4-22-7-5-6-8-26(22)31-19-34-29(36)27(40-30(34)39)17-21-9-13-25(14-10-21)38-18-28(35)33-32-20(2)23-11-15-24(37-3)16-12-23/h5-17,31H,4,18-19H2,1-3H3,(H,33,35)/b27-17+,32-20+
InChIKey
LAIOYWKCYNPYIB-PMMFSTIFSA-N
Compound name
2-[4-[(E)-[3-[(2-ethylanilino)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.17084 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.17812 237.7
[M+Na]+ 597.16006 240.8
[M-H]- 573.16356 248.6
[M+NH4]+ 592.20466 241.7
[M+K]+ 613.13400 232.7
[M+H-H2O]+ 557.16810 227.0
[M+HCOO]- 619.16904 249.5
[M+CH3COO]- 633.18469 260.2
[M+Na-2H]- 595.14551 233.2
[M]+ 574.17029 241.4
[M]- 574.17139 241.4
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.