CID 383252

Nsc671366

Structural Information

Molecular Formula
C28H25N3O4S
SMILES
CCOC(=O)C(=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=CC=C4)C(=O)OCC
InChI
InChI=1S/C28H25N3O4S/c1-3-34-27(32)23(28(33)35-4-2)26-31(22-18-12-7-13-19-22)24(29-20-14-8-5-9-15-20)25(36-26)30-21-16-10-6-11-17-21/h5-19H,3-4H2,1-2H3
InChIKey
DSIXTMBNWMGAHV-UHFFFAOYSA-N
Compound name
diethyl 2-[3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.1566 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.16388 223.1
[M+Na]+ 522.14582 226.0
[M-H]- 498.14932 236.0
[M+NH4]+ 517.19042 230.2
[M+K]+ 538.11976 220.8
[M+H-H2O]+ 482.15386 211.6
[M+HCOO]- 544.15480 240.6
[M+CH3COO]- 558.17045 244.0
[M+Na-2H]- 520.13127 219.3
[M]+ 499.15605 225.7
[M]- 499.15715 225.7
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.