CID 1590343

Salor-int l435619-1ea

Structural Information

Molecular Formula
C29H23N5O3S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)/SC3=N2
InChI
InChI=1S/C29H23N5O3S/c1-3-37-24-15-11-20(12-16-24)27-30-29-34(32-27)28(35)25(38-29)17-21-18-33(22-7-5-4-6-8-22)31-26(21)19-9-13-23(36-2)14-10-19/h4-18H,3H2,1-2H3/b25-17-
InChIKey
HTTZEEMJZKRBMN-UQQQWYQISA-N
Compound name
(5Z)-2-(4-ethoxyphenyl)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-[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

521.15216 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.15944 223.0
[M+Na]+ 544.14138 241.7
[M+NH4]+ 539.18598 229.0
[M+K]+ 560.11532 235.9
[M-H]- 520.14488 230.9
[M+Na-2H]- 542.12683 234.1
[M]+ 521.15161 228.6
[M]- 521.15271 228.6
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.