CID 16429712

(3z)-1-benzyl-3-(2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6h)-ylidene)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C27H20N4O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6)/SC3=N2
InChI
InChI=1S/C27H20N4O3S/c1-2-34-19-14-12-18(13-15-19)24-28-27-31(29-24)26(33)23(35-27)22-20-10-6-7-11-21(20)30(25(22)32)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3/b23-22-
InChIKey
RRWJIRSNZVVDAT-FCQUAONHSA-N
Compound name
(5Z)-5-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-ethoxyphenyl)-[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

480.1256 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13288 214.0
[M+Na]+ 503.11482 230.8
[M+NH4]+ 498.15942 221.0
[M+K]+ 519.08876 225.3
[M-H]- 479.11832 220.5
[M+Na-2H]- 501.10027 221.9
[M]+ 480.12505 218.9
[M]- 480.12615 218.9
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.