CID 460778

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

Structural Information

Molecular Formula
C32H26N4O2S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3C(=O)CSC3=NC4=CC=CC=C4)C)N5C(=O)CSC5=NC6=CC=CC=C6
InChI
InChI=1S/C32H26N4O2S2/c1-21-17-23(13-15-27(21)35-29(37)19-39-31(35)33-25-9-5-3-6-10-25)24-14-16-28(22(2)18-24)36-30(38)20-40-32(36)34-26-11-7-4-8-12-26/h3-18H,19-20H2,1-2H3
InChIKey
CVVHJAMRPIGBNU-UHFFFAOYSA-N
Compound name
3-[2-methyl-4-[3-methyl-4-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)phenyl]phenyl]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1497 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.15698 237.9
[M+Na]+ 585.13892 246.0
[M-H]- 561.14242 256.3
[M+NH4]+ 580.18352 244.3
[M+K]+ 601.11286 236.8
[M+H-H2O]+ 545.14696 227.6
[M+HCOO]- 607.14790 251.1
[M+CH3COO]- 621.16355 245.2
[M+Na-2H]- 583.12437 230.6
[M]+ 562.14915 239.0
[M]- 562.15025 239.0
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.