CID 5912585

2-[(3z)-3-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C27H29N3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C27H29N3O3S2/c1-2-3-4-10-17-29-26(33)24(35-27(29)34)23-20-13-8-9-14-21(20)30(25(23)32)18-22(31)28-16-15-19-11-6-5-7-12-19/h5-9,11-14H,2-4,10,15-18H2,1H3,(H,28,31)/b24-23-
InChIKey
KCLDKACKILTXME-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.16504 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.17232 223.8
[M+Na]+ 530.15426 230.0
[M-H]- 506.15776 231.0
[M+NH4]+ 525.19886 233.3
[M+K]+ 546.12820 221.3
[M+H-H2O]+ 490.16230 216.7
[M+HCOO]- 552.16324 231.4
[M+CH3COO]- 566.17889 241.4
[M+Na-2H]- 528.13971 215.7
[M]+ 507.16449 227.8
[M]- 507.16559 227.8
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.