CID 5909648

617697-89-9

Structural Information

Molecular Formula
C20H14BrClN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)/C1=O
InChI
InChI=1S/C20H14BrClN2O2S2/c1-2-23-15-8-7-12(21)9-13(15)16(18(23)25)17-19(26)24(20(27)28-17)10-11-5-3-4-6-14(11)22/h3-9H,2,10H2,1H3/b17-16-
InChIKey
IAHTZMZUUOJIRN-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.93686 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.94414 191.3
[M+Na]+ 514.92608 195.7
[M+NH4]+ 509.97068 195.8
[M+K]+ 530.90002 193.4
[M-H]- 490.92958 193.9
[M+Na-2H]- 512.91153 192.7
[M]+ 491.93631 192.6
[M]- 491.93741 192.6
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.