CID 3020098

Einecs 283-787-5

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CSCCO
InChI
InChI=1S/C15H16N2OS/c18-10-11-19-12-13-6-8-15(9-7-13)17-16-14-4-2-1-3-5-14/h1-9,18H,10-12H2
InChIKey
AZPMLJUDKMGFPX-UHFFFAOYSA-N
Compound name
2-[(4-phenyldiazenylphenyl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

272.09833 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.105606 160.1
[M+Na]+ 295.087548 166.6
[M-H]- 271.091054 167.9
[M+NH4]+ 290.132153 176.9
[M+K]+ 311.061488 162.0
[M+H-H2O]+ 255.095590 151.6
[M+HCOO]- 317.096531 182.9
[M+CH3COO]- 331.112181 202.7
[M+Na-2H]- 293.072996 165.4
[M]+ 272.09778142 163.1
[M]- 272.09887858 163.1
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

patents stripe