CID 5909102

617697-84-4

Structural Information

Molecular Formula
C18H13BrN2O3S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)/C1=O
InChI
InChI=1S/C18H13BrN2O3S2/c1-2-20-13-6-5-10(19)8-12(13)14(16(20)22)15-17(23)21(18(25)26-15)9-11-4-3-7-24-11/h3-8H,2,9H2,1H3/b15-14-
InChIKey
ILLGGPXKVAGYKF-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.9551 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.96238 186.4
[M+Na]+ 470.94432 202.7
[M-H]- 446.94782 199.7
[M+NH4]+ 465.98892 204.6
[M+K]+ 486.91826 190.9
[M+H-H2O]+ 430.95236 190.3
[M+HCOO]- 492.95330 196.5
[M+CH3COO]- 506.96895 200.4
[M+Na-2H]- 468.92977 181.8
[M]+ 447.95455 209.9
[M]- 447.95565 209.9
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.