CID 139596753

Dtxsid401028679

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)(=O)C
InChI
InChI=1S/C15H19N3O3S/c1-12-6-4-7-13(2)15(12)18(11-17-9-5-8-16-17)14(19)10-22(3,20)21/h4-9H,10-11H2,1-3H3
InChIKey
QHBZOJGSBYTFEB-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-methylsulfonyl-N-(pyrazol-1-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

321.11472 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 174.5
[M+Na]+ 344.10394 182.6
[M-H]- 320.10744 180.8
[M+NH4]+ 339.14854 188.9
[M+K]+ 360.07788 179.8
[M+H-H2O]+ 304.11198 166.4
[M+HCOO]- 366.11292 191.8
[M+CH3COO]- 380.12857 208.7
[M+Na-2H]- 342.08939 175.1
[M]+ 321.11417 180.3
[M]- 321.11527 180.3
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.