CID 271031

Nsc114415

Structural Information

Molecular Formula
C22H21N5O4S
SMILES
CC1=COC(=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C22H21N5O4S/c1-14-13-31-21(15(14)2)26-32(29,30)19-11-9-17(10-12-19)23-24-20-16(3)25-27(22(20)28)18-7-5-4-6-8-18/h4-13,20,26H,1-3H3
InChIKey
VTBIFCVXKRUQCC-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylfuran-2-yl)-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.13144 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.13872 208.6
[M+Na]+ 474.12066 217.9
[M-H]- 450.12416 224.2
[M+NH4]+ 469.16526 218.1
[M+K]+ 490.09460 214.2
[M+H-H2O]+ 434.12870 199.4
[M+HCOO]- 496.12964 230.6
[M+CH3COO]- 510.14529 239.4
[M+Na-2H]- 472.10611 209.2
[M]+ 451.13089 215.7
[M]- 451.13199 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.