CID 20836361

104123-87-7

Structural Information

Molecular Formula
C25H29N3OS
SMILES
CCCN(CCC)CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3
InChI
InChI=1S/C25H29N3OS/c1-3-18-27(19-4-2)20-28-24(29)23(17-11-14-21-12-7-5-8-13-21)30-25(28)26-22-15-9-6-10-16-22/h5-17H,3-4,18-20H2,1-2H3/b14-11+,23-17+,26-25?
InChIKey
VHTUXVLEBIVIAP-UHCHDCOUSA-N
Compound name
(5E)-3-[(dipropylamino)methyl]-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.20312 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.21040 205.6
[M+Na]+ 442.19234 216.5
[M+NH4]+ 437.23694 212.5
[M+K]+ 458.16628 206.5
[M-H]- 418.19584 212.0
[M+Na-2H]- 440.17779 212.7
[M]+ 419.20257 209.2
[M]- 419.20367 209.2
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.