CID 172840

71566-29-5

Structural Information

Molecular Formula
C19H21N5O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)NC(C)C)O
InChI
InChI=1S/C19H21N5O4S/c1-12(2)23-29(27,28)15-9-10-17(25)16(11-15)20-21-18-13(3)22-24(19(18)26)14-7-5-4-6-8-14/h4-12,22-23,25H,1-3H3
InChIKey
DKZKEGJEUZLXME-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13144 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13872 196.0
[M+Na]+ 438.12066 206.0
[M+NH4]+ 433.16526 199.8
[M+K]+ 454.09460 201.8
[M-H]- 414.12416 199.6
[M+Na-2H]- 436.10611 202.7
[M]+ 415.13089 198.5
[M]- 415.13199 198.5
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.