CID 201342

M-toluidine, alpha-(methylsulfonyl)-4-(nonyloxy)-

Structural Information

Molecular Formula
C17H29NO3S
SMILES
CCCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
InChI
InChI=1S/C17H29NO3S/c1-3-4-5-6-7-8-9-12-21-17-11-10-16(18)13-15(17)14-22(2,19)20/h10-11,13H,3-9,12,14,18H2,1-2H3
InChIKey
NLIWDPJRUDMZIT-UHFFFAOYSA-N
Compound name
3-(methylsulfonylmethyl)-4-nonoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18683 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19411 180.3
[M+Na]+ 350.17605 189.3
[M+NH4]+ 345.22065 186.2
[M+K]+ 366.14999 181.0
[M-H]- 326.17955 180.9
[M+Na-2H]- 348.16150 183.2
[M]+ 327.18628 182.0
[M]- 327.18738 182.0
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.