CID 21149605

71673-08-0

Structural Information

Molecular Formula
C18H22ClN3O3S
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)C)Cl)C
InChI
InChI=1S/C18H22ClN3O3S/c1-4-22(9-10-23)14-5-7-17(13(2)11-14)20-21-18-8-6-15(12-16(18)19)26(3,24)25/h5-8,11-12,23H,4,9-10H2,1-3H3
InChIKey
JSZKAMXXRVTMSN-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10703 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11431 192.3
[M+Na]+ 418.09625 200.0
[M-H]- 394.09975 202.0
[M+NH4]+ 413.14085 205.6
[M+K]+ 434.07019 195.3
[M+H-H2O]+ 378.10429 184.1
[M+HCOO]- 440.10523 209.9
[M+CH3COO]- 454.12088 230.3
[M+Na-2H]- 416.08170 194.5
[M]+ 395.10648 201.0
[M]- 395.10758 201.0
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.