CID 6515835

623935-18-2

Structural Information

Molecular Formula
C30H25N5O3S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6
InChI
InChI=1S/C30H25N5O3S/c1-19(2)38-25-15-9-20(10-16-25)27-22(18-34(32-27)23-7-5-4-6-8-23)17-26-29(36)35-30(39-26)31-28(33-35)21-11-13-24(37-3)14-12-21/h4-19H,1-3H3/b26-17-
InChIKey
GZYUAPKBBRSUGP-ONUIUJJFSA-N
Compound name
(5Z)-2-(4-methoxyphenyl)-5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-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

535.1678 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.17508 225.6
[M+Na]+ 558.15702 243.8
[M+NH4]+ 553.20162 231.4
[M+K]+ 574.13096 238.6
[M-H]- 534.16052 233.4
[M+Na-2H]- 556.14247 236.4
[M]+ 535.16725 231.1
[M]- 535.16835 231.1
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.