CID 6091931

(2z)-2-{[3-(4-nitrophenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}-6-phenyl-7h-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2h)-dione

Structural Information

Molecular Formula
C27H16N6O4S
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6)/SC3=NC2=O
InChI
InChI=1S/C27H16N6O4S/c34-25-24(17-7-3-1-4-8-17)30-32-26(35)22(38-27(32)28-25)15-19-16-31(20-9-5-2-6-10-20)29-23(19)18-11-13-21(14-12-18)33(36)37/h1-16H/b22-15-
InChIKey
OTAXEGWGCQBMSL-JCMHNJIXSA-N
Compound name
(2Z)-2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

520.0954 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.10268 215.7
[M+Na]+ 543.08462 235.1
[M+NH4]+ 538.12922 221.0
[M+K]+ 559.05856 230.5
[M-H]- 519.08812 224.7
[M+Na-2H]- 541.07007 227.6
[M]+ 520.09485 221.4
[M]- 520.09595 221.4
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

patents stripe