CID 3000585

Oxalanilide der.

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=CC=C(C=C1)NC(=O)C(=S)NC2=CC=C(C=C2)C
InChI
InChI=1S/C16H16N2OS/c1-11-3-7-13(8-4-11)17-15(19)16(20)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
GNQBVDCUKYSFLV-UHFFFAOYSA-N
Compound name
2-(4-methylanilino)-N-(4-methylphenyl)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09833 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 165.6
[M+Na]+ 307.08755 171.8
[M-H]- 283.09105 172.3
[M+NH4]+ 302.13215 181.3
[M+K]+ 323.06149 166.6
[M+H-H2O]+ 267.09559 157.8
[M+HCOO]- 329.09653 184.6
[M+CH3COO]- 343.11218 204.0
[M+Na-2H]- 305.07300 167.0
[M]+ 284.09778 165.5
[M]- 284.09888 165.5
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.