CID 55250

84384-96-3

Structural Information

Molecular Formula

C₁₉H₂₄N₂O₄S

SMILES

CC(C)C1=CC(=CC=C1)OC(=O)N(C)S(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C19H24N2O4S/c1-15(2)17-9-4-10-18(13-17)25-19(22)21(3)26(23)24-12-6-8-16-7-5-11-20-14-16/h4-5,7,9-11,13-15H,6,8,12H2,1-3H3

InChIKey

NVOQVVNJGWVVKC-UHFFFAOYSA-N

Compound name

(3-propan-2-ylphenyl) N-methyl-N-(3-pyridin-3-ylpropoxysulfinyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 376.1457 Da
Monoisotopic Mass: 3.9
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]+	377.152976	189.0
[M+Na]+	399.134918	192.9
[M-H]-	375.138424	194.9
[M+NH4]+	394.179523	199.8
[M+K]+	415.108858	190.8
[M+H-H2O]+	359.142960	179.2
[M+HCOO]-	421.143901	204.8
[M+CH3COO]-	435.159551	220.4
[M+Na-2H]-	397.120366	188.0
[M]+	376.14515142	195.7
[M]-	376.14624858	195.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe