CID 136180081

Einecs 280-641-2

Structural Information

Molecular Formula
C18H19N5O4S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)O)C3=CC=CC=C3
InChI
InChI=1S/C18H19N5O4S/c1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3/h4-11,17,24H,1-3H3
InChIKey
KZUSMFHZFCASKH-UHFFFAOYSA-N
Compound name
3-hydroxy-N,N-dimethyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.11578 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12306 191.9
[M+Na]+ 424.10500 202.4
[M+NH4]+ 419.14960 196.6
[M+K]+ 440.07894 197.9
[M-H]- 400.10850 196.3
[M+Na-2H]- 422.09045 199.3
[M]+ 401.11523 194.8
[M]- 401.11633 194.8
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.