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]+ 402.123056 194.5
[M+Na]+ 424.104998 203.9
[M-H]- 400.108504 205.3
[M+NH4]+ 419.149603 205.5
[M+K]+ 440.078938 199.5
[M+H-H2O]+ 384.113040 184.7
[M+HCOO]- 446.113981 215.6
[M+CH3COO]- 460.129631 231.0
[M+Na-2H]- 422.090446 195.8
[M]+ 401.11523142 200.1
[M]- 401.11632858 200.1
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.