CID 20836360

104123-86-6

Structural Information

Molecular Formula
C27H33N3OS
SMILES
CCCCN(CCCC)CN1C(=O)/C(=C\C=C\C2=CC=CC=C2)/SC1=NC3=CC=CC=C3
InChI
InChI=1S/C27H33N3OS/c1-3-5-20-29(21-6-4-2)22-30-26(31)25(19-13-16-23-14-9-7-10-15-23)32-27(30)28-24-17-11-8-12-18-24/h7-19H,3-6,20-22H2,1-2H3/b16-13+,25-19+,28-27?
InChIKey
VZCYVBBKKJLBOR-ZVLDMUJTSA-N
Compound name
(5E)-3-[(dibutylamino)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

447.23444 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.24172 214.5
[M+Na]+ 470.22366 217.8
[M-H]- 446.22716 223.9
[M+NH4]+ 465.26826 225.0
[M+K]+ 486.19760 210.2
[M+H-H2O]+ 430.23170 203.4
[M+HCOO]- 492.23264 232.4
[M+CH3COO]- 506.24829 239.1
[M+Na-2H]- 468.20911 209.8
[M]+ 447.23389 217.4
[M]- 447.23499 217.4
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.