CID 9819937

147118-36-3

Structural Information

Molecular Formula
C16H20FN3O3S
SMILES
CC(C)C1=NC(=NC(=C1CO)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C16H20FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-8,10,21H,9H2,1-4H3
InChIKey
MSDYDUNHTAYBHV-UHFFFAOYSA-N
Compound name
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

353.12094 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12822 181.1
[M+Na]+ 376.11016 192.0
[M+NH4]+ 371.15476 185.7
[M+K]+ 392.08410 186.0
[M-H]- 352.11366 181.4
[M+Na-2H]- 374.09561 186.2
[M]+ 353.12039 183.0
[M]- 353.12149 183.0
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

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