CID 460779

(2z)-2-(4-methoxyphenyl)imino-3-[4-[4-[(2z)-2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-3-yl]-3-methyl-phenyl]-2-methyl-phenyl]thiazolidin-4-one

Structural Information

Molecular Formula
C34H30N4O4S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CSC3=NC4=CC=C(C=C4)OC)C)N5C(=O)CSC5=NC6=CC=C(C=C6)OC
InChI
InChI=1S/C34H30N4O4S2/c1-21-17-23(5-15-29(21)37-31(39)19-43-33(37)35-25-7-11-27(41-3)12-8-25)24-6-16-30(22(2)18-24)38-32(40)20-44-34(38)36-26-9-13-28(42-4)14-10-26/h5-18H,19-20H2,1-4H3
InChIKey
QLRWSUCPACUVLD-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)imino-3-[4-[4-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]-2-methylphenyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.17084 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.17812 251.7
[M+Na]+ 645.16006 259.1
[M-H]- 621.16356 270.3
[M+NH4]+ 640.20466 255.8
[M+K]+ 661.13400 251.4
[M+H-H2O]+ 605.16810 241.3
[M+HCOO]- 667.16904 264.3
[M+CH3COO]- 681.18469 258.1
[M+Na-2H]- 643.14551 243.5
[M]+ 622.17029 256.6
[M]- 622.17139 256.6
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.