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]+ 292.121106 168.4
[M+Na]+ 314.103048 177.2
[M-H]- 290.106554 172.7
[M+NH4]+ 309.147653 184.0
[M+K]+ 330.076988 171.5
[M+H-H2O]+ 274.111090 160.0
[M+HCOO]- 336.112031 186.4
[M+CH3COO]- 350.127681 203.6
[M+Na-2H]- 312.088496 169.9
[M]+ 291.11328142 172.1
[M]- 291.11437858 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.