CID 511956

5-methylsulfonyl-n-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

Structural Information

Molecular Formula
C14H13F3N2O2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)NCC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H13F3N2O2S/c1-22(20,21)12-6-7-13(19-9-12)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKey
OPGVKXSVNLXZHJ-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.06497 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07225 170.0
[M+Na]+ 353.05419 179.0
[M-H]- 329.05769 171.8
[M+NH4]+ 348.09879 182.7
[M+K]+ 369.02813 173.2
[M+H-H2O]+ 313.06223 159.5
[M+HCOO]- 375.06317 183.3
[M+CH3COO]- 389.07882 206.4
[M+Na-2H]- 351.03964 174.1
[M]+ 330.06442 168.7
[M]- 330.06552 168.7
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.