CID 511957

N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfonyl-pyridin-2-amine

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
COC1=C(C=C(C=C1)CNC2=NC=C(C=C2)S(=O)(=O)C)OC
InChI
InChI=1S/C15H18N2O4S/c1-20-13-6-4-11(8-14(13)21-2)9-16-15-7-5-12(10-17-15)22(3,18)19/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKey
RNBDFGBAYBJVAF-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-5-methylsulfonylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.09872 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10600 172.4
[M+Na]+ 345.08794 180.8
[M-H]- 321.09144 178.3
[M+NH4]+ 340.13254 185.6
[M+K]+ 361.06188 176.9
[M+H-H2O]+ 305.09598 164.0
[M+HCOO]- 367.09692 190.5
[M+CH3COO]- 381.11257 207.0
[M+Na-2H]- 343.07339 176.5
[M]+ 322.09817 178.5
[M]- 322.09927 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.