CID 3023580

94108-81-3

Structural Information

Molecular Formula
C18H19N5O4S
SMILES
CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)N)C)OC
InChI
InChI=1S/C18H19N5O4S/c1-11-7-8-15(16(9-11)27-3)20-21-17-12(2)22-23(18(17)24)13-5-4-6-14(10-13)28(19,25)26/h4-10,17H,1-3H3,(H2,19,25,26)
InChIKey
WGIUGLIAGCYZFY-UHFFFAOYSA-N
Compound name
3-[4-[(2-methoxy-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.11578 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12306 193.7
[M+Na]+ 424.10500 204.5
[M+NH4]+ 419.14960 198.3
[M+K]+ 440.07894 199.6
[M-H]- 400.10850 198.2
[M+Na-2H]- 422.09045 200.5
[M]+ 401.11523 196.6
[M]- 401.11633 196.6
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.