CID 9672021

477731-93-4

Structural Information

Molecular Formula
C30H24ClN5O3S
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C30H24ClN5O3S/c1-21-7-9-22(10-8-21)29-24(20-36(34-29)27-5-3-2-4-6-27)19-32-33-30(37)23-11-15-26(16-12-23)35-40(38,39)28-17-13-25(31)14-18-28/h2-20,35H,1H3,(H,33,37)/b32-19+
InChIKey
WVAZIOHIPWGSSC-BIZUNTBRSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.12885 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.13613 236.4
[M+Na]+ 592.11807 243.1
[M-H]- 568.12157 251.0
[M+NH4]+ 587.16267 239.5
[M+K]+ 608.09201 234.6
[M+H-H2O]+ 552.12611 224.1
[M+HCOO]- 614.12705 250.6
[M+CH3COO]- 628.14270 243.0
[M+Na-2H]- 590.10352 237.8
[M]+ 569.12830 241.2
[M]- 569.12940 241.2
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.