CID 5894304

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

Structural Information

Molecular Formula
C27H29N3O3S2
SMILES
CCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C27H29N3O3S2/c1-3-4-5-6-9-16-29-26(33)24(35-27(29)34)23-20-10-7-8-11-21(20)30(25(23)32)17-22(31)28-19-14-12-18(2)13-15-19/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,28,31)/b24-23-
InChIKey
PQUVJBQLPMDNRC-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.16504 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.17232 223.3
[M+Na]+ 530.15426 232.5
[M+NH4]+ 525.19886 228.6
[M+K]+ 546.12820 224.6
[M-H]- 506.15776 226.8
[M+Na-2H]- 528.13971 225.3
[M]+ 507.16449 226.2
[M]- 507.16559 226.2
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.