CID 41383

N-(morpholinosulfenyl)carbofuran

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₄S

SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN3CCOCC3)C

InChI

InChI=1S/C16H22N2O4S/c1-16(2)11-12-5-4-6-13(14(12)22-16)21-15(19)17(3)23-18-7-9-20-10-8-18/h4-6H,7-11H2,1-3H3

InChIKey

KISOXJQGSGASFJ-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 338.13004 Da
Monoisotopic Mass: 2.9
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]+	339.137316	177.1
[M+Na]+	361.119258	182.4
[M-H]-	337.122764	185.1
[M+NH4]+	356.163863	192.1
[M+K]+	377.093198	183.4
[M+H-H2O]+	321.127300	170.3
[M+HCOO]-	383.128241	189.3
[M+CH3COO]-	397.143891	210.7
[M+Na-2H]-	359.104706	178.7
[M]+	338.12949142	180.8
[M]-	338.13058858	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe