CID 3040269

Velsicol fcs-13

Structural Information

Molecular Formula

C₉H₂₁N₂O₄PS

SMILES

CCOP(=O)(NC(C)C)SCC(=O)NCOC

InChI

InChI=1S/C9H21N2O4PS/c1-5-15-16(13,11-8(2)3)17-6-9(12)10-7-14-4/h8H,5-7H2,1-4H3,(H,10,12)(H,11,13)

InChIKey

LKVXWNVCAUSJKF-UHFFFAOYSA-N

Compound name

2-[ethoxy-(propan-2-ylamino)phosphoryl]sulfanyl-N-(methoxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 284.09598 Da
Monoisotopic Mass: 0.1
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]+	285.103256	164.3
[M+Na]+	307.085198	167.7
[M-H]-	283.088704	162.7
[M+NH4]+	302.129803	180.2
[M+K]+	323.059138	167.3
[M+H-H2O]+	267.093240	155.3
[M+HCOO]-	329.094181	186.7
[M+CH3COO]-	343.109831	204.3
[M+Na-2H]-	305.070646	163.0
[M]+	284.09543142	170.7
[M]-	284.09652858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe