CID 5870996

N-(2,4-dimethylphenyl)-2-[(3z)-3-(3-dodecyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C33H41N3O3S2
SMILES
CCCCCCCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C33H41N3O3S2/c1-4-5-6-7-8-9-10-11-12-15-20-35-32(39)30(41-33(35)40)29-25-16-13-14-17-27(25)36(31(29)38)22-28(37)34-26-19-18-23(2)21-24(26)3/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3,(H,34,37)/b30-29-
InChIKey
SSKWPJNHFNMALP-FLWNBWAVSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(3Z)-3-(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.2589 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.26618 247.0
[M+Na]+ 614.24812 251.6
[M-H]- 590.25162 253.5
[M+NH4]+ 609.29272 253.3
[M+K]+ 630.22206 241.9
[M+H-H2O]+ 574.25616 239.4
[M+HCOO]- 636.25710 252.3
[M+CH3COO]- 650.27275 260.6
[M+Na-2H]- 612.23357 235.4
[M]+ 591.25835 253.5
[M]- 591.25945 253.5
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.