CID 6247515

617697-77-5

Structural Information

Molecular Formula
C18H19BrN2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CC)/SC1=S
InChI
InChI=1S/C18H19BrN2O2S2/c1-3-5-6-9-21-17(23)15(25-18(21)24)14-12-10-11(19)7-8-13(12)20(4-2)16(14)22/h7-8,10H,3-6,9H2,1-2H3/b15-14-
InChIKey
CODMQALNUOOLQA-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-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

438.00714 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.01442 182.0
[M+Na]+ 460.99636 196.6
[M-H]- 436.99986 190.4
[M+NH4]+ 456.04096 200.0
[M+K]+ 476.97030 181.9
[M+H-H2O]+ 421.00440 183.9
[M+HCOO]- 483.00534 189.7
[M+CH3COO]- 497.02099 221.7
[M+Na-2H]- 458.98181 177.6
[M]+ 438.00659 204.8
[M]- 438.00769 204.8
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.