CID 460784

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

Structural Information

Molecular Formula
C34H30N4O2S2
SMILES
CC1=CC=CC=C1N=C2N(C(=O)CS2)C3=C(C=C(C=C3)C4=CC(=C(C=C4)N5C(=O)CSC5=NC6=CC=CC=C6C)C)C
InChI
InChI=1S/C34H30N4O2S2/c1-21-9-5-7-11-27(21)35-33-37(31(39)19-41-33)29-15-13-25(17-23(29)3)26-14-16-30(24(4)18-26)38-32(40)20-42-34(38)36-28-12-8-6-10-22(28)2/h5-18H,19-20H2,1-4H3
InChIKey
VSCLYVNKYBUTDK-UHFFFAOYSA-N
Compound name
3-[2-methyl-4-[3-methyl-4-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]phenyl]phenyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.181 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.18828 246.8
[M+Na]+ 613.17022 255.3
[M-H]- 589.17372 265.4
[M+NH4]+ 608.21482 252.6
[M+K]+ 629.14416 245.9
[M+H-H2O]+ 573.17826 236.5
[M+HCOO]- 635.17920 259.2
[M+CH3COO]- 649.19485 253.8
[M+Na-2H]- 611.15567 237.5
[M]+ 590.18045 249.3
[M]- 590.18155 249.3
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.