CID 9570404

Glyoxal, p-(phenylthio)phenyl-, dimethyl hydrazone

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]+ 285.105606 165.6
[M+Na]+ 307.087548 171.6
[M-H]- 283.091054 174.7
[M+NH4]+ 302.132153 182.2
[M+K]+ 323.061488 168.1
[M+H-H2O]+ 267.095590 156.8
[M+HCOO]- 329.096531 187.6
[M+CH3COO]- 343.112181 209.1
[M+Na-2H]- 305.072996 168.4
[M]+ 284.09778142 168.9
[M]- 284.09887858 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.