CID 3046930

Ethanamine, 2-((1,4-bis(4-methoxyphenyl)-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H25N3O3/c1-23(2)13-14-27-21-20(16-5-9-18(25-3)10-6-16)15-24(22-21)17-7-11-19(26-4)12-8-17/h5-12,15H,13-14H2,1-4H3
InChIKey
ODWCAGNOYHNDBX-UHFFFAOYSA-N
Compound name
2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 188.7
[M+Na]+ 390.178818 195.8
[M-H]- 366.182324 197.6
[M+NH4]+ 385.223423 200.4
[M+K]+ 406.152758 192.6
[M+H-H2O]+ 350.186860 177.6
[M+HCOO]- 412.187801 212.2
[M+CH3COO]- 426.203451 222.8
[M+Na-2H]- 388.164266 189.8
[M]+ 367.18905142 195.6
[M]- 367.19014858 195.6
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.