CID 59759794

4-amino-n-[dimethyl(oxo)-lambda6-sulfanylidene]benzamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CS(=NC(=O)C1=CC=C(C=C1)N)(=O)C
InChI
InChI=1S/C9H12N2O2S/c1-14(2,13)11-9(12)7-3-5-8(10)6-4-7/h3-6H,10H2,1-2H3
InChIKey
GMQVGJACPAYBFB-UHFFFAOYSA-N
Compound name
4-amino-N-[dimethyl(oxo)-lambda6-sulfanylidene]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 144.2
[M+Na]+ 235.051168 152.2
[M-H]- 211.054674 149.2
[M+NH4]+ 230.095773 163.4
[M+K]+ 251.025108 149.5
[M+H-H2O]+ 195.059210 137.9
[M+HCOO]- 257.060151 164.6
[M+CH3COO]- 271.075801 189.3
[M+Na-2H]- 233.036616 148.2
[M]+ 212.06140142 145.3
[M]- 212.06249858 145.3
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