CID 16429331

606963-47-7

Structural Information

Molecular Formula
C24H19BrN4O3S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=C(C=CC(=C5)Br)N(C4=O)CC=C)/SC3=N2
InChI
InChI=1S/C24H19BrN4O3S/c1-3-11-28-18-10-7-15(25)13-17(18)19(22(28)30)20-23(31)29-24(33-20)26-21(27-29)14-5-8-16(9-6-14)32-12-4-2/h3,5-10,13H,1,4,11-12H2,2H3/b20-19-
InChIKey
PNKPDLQYBRUDBX-VXPUYCOJSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.03613 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.04341 218.0
[M+Na]+ 545.02535 222.9
[M+NH4]+ 540.06995 220.3
[M+K]+ 560.99929 223.5
[M-H]- 521.02885 219.5
[M+Na-2H]- 543.01080 218.4
[M]+ 522.03558 218.3
[M]- 522.03668 218.3
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.