CID 339500

Nsc366359

Structural Information

Molecular Formula
C16H17N3O2S
SMILES
CS(=O)CCN=CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C16H17N3O2S/c1-22(21)11-10-17-12-13-2-4-14(5-3-13)18-19-15-6-8-16(20)9-7-15/h2-9,12,20H,10-11H2,1H3
InChIKey
HATHUWRDKYOKIC-UHFFFAOYSA-N
Compound name
4-[[4-(2-methylsulfinylethyliminomethyl)phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10416 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11144 171.8
[M+Na]+ 338.09338 178.2
[M-H]- 314.09688 181.0
[M+NH4]+ 333.13798 187.0
[M+K]+ 354.06732 174.1
[M+H-H2O]+ 298.10142 162.4
[M+HCOO]- 360.10236 196.1
[M+CH3COO]- 374.11801 215.2
[M+Na-2H]- 336.07883 175.7
[M]+ 315.10361 175.9
[M]- 315.10471 175.9
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.