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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08455 156.6
[M+Na]+ 288.06649 165.0
[M-H]- 264.06999 161.0
[M+NH4]+ 283.11109 174.4
[M+K]+ 304.04043 161.5
[M+H-H2O]+ 248.07453 150.6
[M+HCOO]- 310.07547 173.2
[M+CH3COO]- 324.09112 197.0
[M+Na-2H]- 286.05194 161.1
[M]+ 265.07672 159.9
[M]- 265.07782 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.