CID 6294403

618077-67-1

Structural Information

Molecular Formula
C22H19BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)/C1=O
InChI
InChI=1S/C22H19BrN2O2S2/c1-2-3-11-24-17-10-9-15(23)12-16(17)18(20(24)26)19-21(27)25(22(28)29-19)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3/b19-18-
InChIKey
VVWHRNLKZCXGTD-HNENSFHCSA-N
Compound name
(5Z)-3-benzyl-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.00714 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.01442 195.2
[M+Na]+ 508.99636 209.3
[M-H]- 484.99986 206.4
[M+NH4]+ 504.04096 211.0
[M+K]+ 524.97030 194.3
[M+H-H2O]+ 469.00440 196.6
[M+HCOO]- 531.00534 203.3
[M+CH3COO]- 545.02099 207.1
[M+Na-2H]- 506.98181 190.8
[M]+ 486.00659 217.0
[M]- 486.00769 217.0
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.