CID 3013457

Schembl5562080

Structural Information

Molecular Formula
C16H19Cl2N3O2
SMILES
CCC1=C(N(N=C1CNC=O)C(C)C)OC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O2/c1-4-14-15(8-19-9-22)20-21(10(2)3)16(14)23-13-6-11(17)5-12(18)7-13/h5-7,9-10H,4,8H2,1-3H3,(H,19,22)
InChIKey
GBFSUMSVDLWRSI-UHFFFAOYSA-N
Compound name
N-[[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

355.08542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09270 181.5
[M+Na]+ 378.07464 191.5
[M-H]- 354.07814 185.4
[M+NH4]+ 373.11924 195.2
[M+K]+ 394.04858 185.1
[M+H-H2O]+ 338.08268 173.7
[M+HCOO]- 400.08362 194.0
[M+CH3COO]- 414.09927 215.8
[M+Na-2H]- 376.06009 180.3
[M]+ 355.08487 188.7
[M]- 355.08597 188.7
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

patents stripe