CID 44785327

438458-77-6

Structural Information

Molecular Formula
C19H22N2O2S2
SMILES
CCCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C19H22N2O2S2/c1-4-5-10-20-14-9-7-6-8-13(14)15(17(20)22)16-18(23)21(11-12(2)3)19(24)25-16/h6-9,12H,4-5,10-11H2,1-3H3/b16-15+
InChIKey
ZRRMHGYBDYODNQ-FOCLMDBBSA-N
Compound name
(5E)-5-(1-butyl-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

374.11227 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11955 189.7
[M+Na]+ 397.10149 199.1
[M-H]- 373.10499 194.9
[M+NH4]+ 392.14609 205.6
[M+K]+ 413.07543 192.4
[M+H-H2O]+ 357.10953 184.6
[M+HCOO]- 419.11047 196.9
[M+CH3COO]- 433.12612 216.7
[M+Na-2H]- 395.08694 181.2
[M]+ 374.11172 193.7
[M]- 374.11282 193.7
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.