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 172.3
[M+Na]+ 328.11872 179.9
[M-H]- 304.12222 176.6
[M+NH4]+ 323.16332 186.7
[M+K]+ 344.09266 173.6
[M+H-H2O]+ 288.12676 162.5
[M+HCOO]- 350.12770 186.0
[M+CH3COO]- 364.14335 182.4
[M+Na-2H]- 326.10417 170.6
[M]+ 305.12895 172.4
[M]- 305.13005 172.4
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.