CID 3033559

73623-11-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S₂

SMILES

CNC(=O)OC1=CC=CC(=C1)NC(=S)SC

InChI

InChI=1S/C10H12N2O2S2/c1-11-9(13)14-8-5-3-4-7(6-8)12-10(15)16-2/h3-6H,1-2H3,(H,11,13)(H,12,15)

InChIKey

CURMAQDGEJRZQA-UHFFFAOYSA-N

Compound name

[3-(methylsulfanylcarbothioylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 256.03403 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.04131	154.1
[M+Na]+	279.02325	160.1
[M-H]-	255.02675	157.1
[M+NH4]+	274.06785	170.9
[M+K]+	294.99719	155.5
[M+H-H2O]+	239.03129	147.1
[M+HCOO]-	301.03223	167.4
[M+CH3COO]-	315.04788	195.1
[M+Na-2H]-	277.00870	154.8
[M]+	256.03348	155.7
[M]-	256.03458	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe