CID 38393

40136-82-1

Structural Information

Molecular Formula
C18H23N3O6S2
SMILES
CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C18H23N3O6S2/c1-28(22,23)26-14-12-21(13-15-27-29(2,24)25)18-10-8-17(9-11-18)20-19-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKey
WNJYIBMKWBJCBD-UHFFFAOYSA-N
Compound name
2-[N-(2-methylsulfonyloxyethyl)-4-phenyldiazenylanilino]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11008 202.0
[M+Na]+ 464.09202 206.3
[M-H]- 440.09552 210.9
[M+NH4]+ 459.13662 211.7
[M+K]+ 480.06596 203.2
[M+H-H2O]+ 424.10006 191.7
[M+HCOO]- 486.10100 219.2
[M+CH3COO]- 500.11665 234.5
[M+Na-2H]- 462.07747 208.2
[M]+ 441.10225 211.4
[M]- 441.10335 211.4
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.