CID 9570404

Brn 2461472

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CN(C)/N=C/C(=O)C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C16H16N2OS/c1-18(2)17-12-16(19)13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-12H,1-2H3/b17-12+
InChIKey
WUGFTPNHNCVWSP-SFQUDFHCSA-N
Compound name
(2E)-2-(dimethylhydrazinylidene)-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09833 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 165.6
[M+Na]+ 307.08755 171.6
[M-H]- 283.09105 174.7
[M+NH4]+ 302.13215 182.2
[M+K]+ 323.06149 168.1
[M+H-H2O]+ 267.09559 156.8
[M+HCOO]- 329.09653 187.6
[M+CH3COO]- 343.11218 209.1
[M+Na-2H]- 305.07300 168.4
[M]+ 284.09778 168.9
[M]- 284.09888 168.9
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.