CID 6023355

611185-69-4

Structural Information

Molecular Formula
C23H30N2O2S2
SMILES
CCCCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCCC)/C1=O
InChI
InChI=1S/C23H30N2O2S2/c1-3-5-7-8-12-15-24-18-14-10-9-13-17(18)19(21(24)26)20-22(27)25(23(28)29-20)16-11-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3/b20-19-
InChIKey
MUERCCAEQMPNJC-VXPUYCOJSA-N
Compound name
(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.17487 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.18215 205.7
[M+Na]+ 453.16409 213.7
[M-H]- 429.16759 210.0
[M+NH4]+ 448.20869 219.5
[M+K]+ 469.13803 205.6
[M+H-H2O]+ 413.17213 199.7
[M+HCOO]- 475.17307 212.7
[M+CH3COO]- 489.18872 227.3
[M+Na-2H]- 451.14954 196.4
[M]+ 430.17432 211.4
[M]- 430.17542 211.4
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.