CID 3032635

M-anisidine, 4-((p-(methylsulfonyl)benzyl)oxy)-

Structural Information

Molecular Formula
C15H17NO4S
SMILES
COC1=C(C=CC(=C1)N)OCC2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C15H17NO4S/c1-19-15-9-12(16)5-8-14(15)20-10-11-3-6-13(7-4-11)21(2,17)18/h3-9H,10,16H2,1-2H3
InChIKey
ZVUGDPBSFGGYEO-UHFFFAOYSA-N
Compound name
3-methoxy-4-[(4-methylsulfonylphenyl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08783 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09511 168.4
[M+Na]+ 330.07705 176.9
[M-H]- 306.08055 175.3
[M+NH4]+ 325.12165 183.4
[M+K]+ 346.05099 172.9
[M+H-H2O]+ 290.08509 160.9
[M+HCOO]- 352.08603 187.2
[M+CH3COO]- 366.10168 203.7
[M+Na-2H]- 328.06250 171.5
[M]+ 307.08728 173.2
[M]- 307.08838 173.2
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.