CID 16227182

N-[(1-benzyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl]-2-chloroacetamide

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCl
InChI
InChI=1S/C15H18ClN3O/c1-11-14(9-17-15(20)8-16)12(2)19(18-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)
InChIKey
BQZRGLAFVCDYPJ-UHFFFAOYSA-N
Compound name
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11383 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 168.4
[M+Na]+ 314.10305 177.2
[M-H]- 290.10655 172.7
[M+NH4]+ 309.14765 184.0
[M+K]+ 330.07699 171.5
[M+H-H2O]+ 274.11109 160.0
[M+HCOO]- 336.11203 186.4
[M+CH3COO]- 350.12768 203.6
[M+Na-2H]- 312.08850 169.9
[M]+ 291.11328 172.1
[M]- 291.11438 172.1
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

No patent data available for this compound.