CID 44785335

438458-82-3

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
CCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C17H18N2O2S2/c1-4-18-12-8-6-5-7-11(12)13(15(18)20)14-16(21)19(9-10(2)3)17(22)23-14/h5-8,10H,4,9H2,1-3H3/b14-13+
InChIKey
SHMBJLGKZZKKGS-BUHFOSPRSA-N
Compound name
(5E)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 181.5
[M+Na]+ 369.07018 191.8
[M-H]- 345.07368 187.1
[M+NH4]+ 364.11478 198.6
[M+K]+ 385.04412 185.5
[M+H-H2O]+ 329.07822 176.8
[M+HCOO]- 391.07916 189.3
[M+CH3COO]- 405.09481 211.0
[M+Na-2H]- 367.05563 173.8
[M]+ 346.08041 184.8
[M]- 346.08151 184.8
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.