CID 610078

Zzvjfoilolrpmz-ccezhusrsa-n

Structural Information

Molecular Formula

C₁₉H₂₁NOS

SMILES

CC(=CC(C1=CC=CC=C1)SC(=O)N(C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H21NOS/c1-15(16-10-6-4-7-11-16)14-18(22-19(21)20(2)3)17-12-8-5-9-13-17/h4-14,18H,1-3H3

InChIKey

ZZVJFOILOLRPMZ-UHFFFAOYSA-N

Compound name

S-(1,3-diphenylbut-2-enyl) N,N-dimethylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.1344 Da
Monoisotopic Mass: 5.1
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]+	312.141676	175.8
[M+Na]+	334.123618	179.6
[M-H]-	310.127124	182.9
[M+NH4]+	329.168223	190.7
[M+K]+	350.097558	175.7
[M+H-H2O]+	294.131660	167.4
[M+HCOO]-	356.132601	192.3
[M+CH3COO]-	370.148251	209.8
[M+Na-2H]-	332.109066	174.7
[M]+	311.13385142	177.3
[M]-	311.13494858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.