CID 37479566

4-(propan-2-yloxy)naphthalene-1-sulfonamide

Structural Information

Molecular Formula

C₁₃H₁₅NO₃S

SMILES

CC(C)OC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N

InChI

InChI=1S/C13H15NO3S/c1-9(2)17-12-7-8-13(18(14,15)16)11-6-4-3-5-10(11)12/h3-9H,1-2H3,(H2,14,15,16)

InChIKey

MVHXFCVNQQZSBC-UHFFFAOYSA-N

Compound name

4-propan-2-yloxynaphthalene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.07727 Da
Monoisotopic Mass: 2.4
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]+	266.084546	156.6
[M+Na]+	288.066488	165.0
[M-H]-	264.069994	161.0
[M+NH4]+	283.111093	174.4
[M+K]+	304.040428	161.5
[M+H-H2O]+	248.074530	150.6
[M+HCOO]-	310.075471	173.2
[M+CH3COO]-	324.091121	197.0
[M+Na-2H]-	286.051936	161.1
[M]+	265.07672142	159.9
[M]-	265.07781858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.