CID 5796271

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

Structural Information

Molecular Formula
C24H23N3O3S2
SMILES
CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C(C)C)/C2=O)C
InChI
InChI=1S/C24H23N3O3S2/c1-13(2)27-23(30)21(32-24(27)31)20-16-7-5-6-8-18(16)26(22(20)29)12-19(28)25-17-10-9-14(3)11-15(17)4/h5-11,13H,12H2,1-4H3,(H,25,28)/b21-20-
InChIKey
SPYJNJMLWFBZBD-MRCUWXFGSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11807 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12535 212.2
[M+Na]+ 488.10729 220.7
[M-H]- 464.11079 220.7
[M+NH4]+ 483.15189 223.7
[M+K]+ 504.08123 213.2
[M+H-H2O]+ 448.11533 206.5
[M+HCOO]- 510.11627 219.4
[M+CH3COO]- 524.13192 236.4
[M+Na-2H]- 486.09274 203.4
[M]+ 465.11752 215.7
[M]- 465.11862 215.7
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.