CID 6008

Phencarbamide

Structural Information

Molecular Formula

C₁₉H₂₄N₂OS

SMILES

CCN(CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

InChIKey

BZGIPVGCJGXQTA-UHFFFAOYSA-N

Compound name

S-[2-(diethylamino)ethyl] N,N-diphenylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1202
Patents: 328.16095 Da
Monoisotopic Mass: 4.6
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]+	329.16823	180.5
[M+Na]+	351.15017	183.7
[M-H]-	327.15367	188.7
[M+NH4]+	346.19477	195.1
[M+K]+	367.12411	180.7
[M+H-H2O]+	311.15821	171.0
[M+HCOO]-	373.15915	200.3
[M+CH3COO]-	387.17480	217.8
[M+Na-2H]-	349.13562	181.5
[M]+	328.16040	184.5
[M]-	328.16150	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe