CID 203734

1-benzyl-5-(3-chloropropoxy)-3-methylpyrazole

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CC1=NN(C(=C1)OCCCCl)CC2=CC=CC=C2
InChI
InChI=1S/C14H17ClN2O/c1-12-10-14(18-9-5-8-15)17(16-12)11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKey
UTTUDDGSNFRBEK-UHFFFAOYSA-N
Compound name
1-benzyl-5-(3-chloropropoxy)-3-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 159.9
[M+Na]+ 287.09216 174.5
[M+NH4]+ 282.13676 168.3
[M+K]+ 303.06610 167.5
[M-H]- 263.09566 163.0
[M+Na-2H]- 285.07761 167.9
[M]+ 264.10239 163.2
[M]- 264.10349 163.2
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.