CID 81177

6659-76-3

Structural Information

Molecular Formula
C18H22ClN3O4S
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)S(=O)(=O)C)Cl
InChI
InChI=1S/C18H22ClN3O4S/c1-13-11-14(22(7-9-23)8-10-24)3-5-17(13)20-21-18-6-4-15(12-16(18)19)27(2,25)26/h3-6,11-12,23-24H,7-10H2,1-2H3
InChIKey
KLMFZVQIWHSLOE-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.10196 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.10924 194.4
[M+Na]+ 434.09118 201.3
[M-H]- 410.09468 202.6
[M+NH4]+ 429.13578 206.2
[M+K]+ 450.06512 196.5
[M+H-H2O]+ 394.09922 186.3
[M+HCOO]- 456.10016 210.7
[M+CH3COO]- 470.11581 230.2
[M+Na-2H]- 432.07663 196.6
[M]+ 411.10141 202.7
[M]- 411.10251 202.7
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.