CID 118532

33687-03-5

Structural Information

Molecular Formula
C33H35N3OS2
SMILES
CCCCCCCN1C(=O)C(=CC=CC=C2N(C3=C(S2)C4=CC=CC=C4C=C3)CC)N(C1=S)C5=CC=CC=C5
InChI
InChI=1S/C33H35N3OS2/c1-3-5-6-7-15-24-35-32(37)29(36(33(35)38)26-17-9-8-10-18-26)20-13-14-21-30-34(4-2)28-23-22-25-16-11-12-19-27(25)31(28)39-30/h8-14,16-23H,3-7,15,24H2,1-2H3
InChIKey
WWIBWTBIRUETRJ-UHFFFAOYSA-N
Compound name
5-[4-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)but-2-enylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.22217 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.22945 237.6
[M+Na]+ 576.21139 250.2
[M+NH4]+ 571.25599 244.1
[M+K]+ 592.18533 238.4
[M-H]- 552.21489 242.3
[M+Na-2H]- 574.19684 240.2
[M]+ 553.22162 241.6
[M]- 553.22272 241.6
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.