CID 511943

N,n-dimethyl-4-[(5-methylsulfonyl-2-pyridyl)methyl]aniline

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CN(C)C1=CC=C(C=C1)CC2=NC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C15H18N2O2S/c1-17(2)14-7-4-12(5-8-14)10-13-6-9-15(11-16-13)20(3,18)19/h4-9,11H,10H2,1-3H3
InChIKey
WGHYRWQBCXCFPD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(5-methylsulfonylpyridin-2-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.1089 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 165.5
[M+Na]+ 313.09812 173.8
[M-H]- 289.10162 172.7
[M+NH4]+ 308.14272 180.7
[M+K]+ 329.07206 170.1
[M+H-H2O]+ 273.10616 157.2
[M+HCOO]- 335.10710 183.8
[M+CH3COO]- 349.12275 204.8
[M+Na-2H]- 311.08357 169.3
[M]+ 290.10835 169.8
[M]- 290.10945 169.8
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.