CID 3070805

3-(p-chlorophenyl)-4-methyl-5-pyrrolidinoethoxy-pyrazole maleate

Structural Information

Molecular Formula
C16H20ClN3O
SMILES
CC1=C(NN=C1OCCN2CCCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O/c1-12-15(13-4-6-14(17)7-5-13)18-19-16(12)21-11-10-20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,18,19)
InChIKey
YFHYVKSFQONMMD-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1295 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13678 171.4
[M+Na]+ 328.11872 184.2
[M+NH4]+ 323.16332 179.0
[M+K]+ 344.09266 180.0
[M-H]- 304.12222 174.7
[M+Na-2H]- 326.10417 178.1
[M]+ 305.12895 174.3
[M]- 305.13005 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.