CID 3070774

3-p-chlorophenyl-5-dimethylaminopropoxy-pyrazole maleate

Structural Information

Molecular Formula
C14H18ClN3O
SMILES
CN(C)CCCOC1=NNC(=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClN3O/c1-18(2)8-3-9-19-14-10-13(16-17-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKey
VBYGLLJSBOALPZ-UHFFFAOYSA-N
Compound name
3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.11383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12111 164.2
[M+Na]+ 302.10305 172.0
[M-H]- 278.10655 168.1
[M+NH4]+ 297.14765 179.8
[M+K]+ 318.07699 167.1
[M+H-H2O]+ 262.11109 155.5
[M+HCOO]- 324.11203 182.2
[M+CH3COO]- 338.12768 200.9
[M+Na-2H]- 300.08850 166.9
[M]+ 279.11328 167.9
[M]- 279.11438 167.9
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

patents stripe