CID 20836057

13568-03-1

Structural Information

Molecular Formula

C₁₁H₁₄N₃PS

SMILES

CN(C)P(=S)(C1=CC=CC=C1)N2C=CN=C2

InChI

InChI=1S/C11H14N3PS/c1-13(2)15(16,14-9-8-12-10-14)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

QNWCULQVZGQKHW-UHFFFAOYSA-N

Compound name

N-[imidazol-1-yl(phenyl)phosphinothioyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 251.0646 Da
Monoisotopic Mass: 3.0
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]+	252.07188	153.4
[M+Na]+	274.05382	161.0
[M-H]-	250.05732	158.2
[M+NH4]+	269.09842	171.0
[M+K]+	290.02776	158.4
[M+H-H2O]+	234.06186	142.9
[M+HCOO]-	296.06280	177.5
[M+CH3COO]-	310.07845	196.7
[M+Na-2H]-	272.03927	153.9
[M]+	251.06405	155.7
[M]-	251.06515	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe