CID 5862670

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

Structural Information

Molecular Formula
C26H27N3O3S2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC(C)C)/C2=O
InChI
InChI=1S/C26H27N3O3S2/c1-15(2)11-12-28-25(32)23(34-26(28)33)22-18-7-5-6-8-20(18)29(24(22)31)14-21(30)27-19-13-16(3)9-10-17(19)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,27,30)/b23-22-
InChIKey
CCWNWTAIBVJDHZ-FCQUAONHSA-N
Compound name
N-(2,5-dimethylphenyl)-2-[(3Z)-3-[3-(3-methylbutyl)-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

493.14938 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.15666 220.1
[M+Na]+ 516.13860 227.6
[M-H]- 492.14210 228.2
[M+NH4]+ 511.18320 230.4
[M+K]+ 532.11254 219.8
[M+H-H2O]+ 476.14664 214.0
[M+HCOO]- 538.14758 226.6
[M+CH3COO]- 552.16323 242.0
[M+Na-2H]- 514.12405 210.5
[M]+ 493.14883 224.1
[M]- 493.14993 224.1
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.