CID 18772487

Imicyafos

Structural Information

Molecular Formula

C₁₁H₂₁N₄O₂PS

SMILES

CCCSP(=O)(N1CCN(C1=NC#N)CC)OCC

InChI

InChI=1S/C11H21N4O2PS/c1-4-9-19-18(16,17-6-3)15-8-7-14(5-2)11(15)13-10-12/h4-9H2,1-3H3

InChIKey

PPCUNNLZTNMXFO-UHFFFAOYSA-N

Compound name

[1-[ethoxy(propylsulfanyl)phosphoryl]-3-ethylimidazolidin-2-ylidene]cyanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12082
Patents: 304.11227 Da
Monoisotopic Mass: 1.3
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]+	305.11955	160.6
[M+Na]+	327.10149	167.9
[M-H]-	303.10499	161.3
[M+NH4]+	322.14609	174.8
[M+K]+	343.07543	167.1
[M+H-H2O]+	287.10953	144.3
[M+HCOO]-	349.11047	178.1
[M+CH3COO]-	363.12612	216.7
[M+Na-2H]-	325.08694	158.7
[M]+	304.11172	160.4
[M]-	304.11282	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe