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]+ 368.19688 188.7
[M+Na]+ 390.17882 195.8
[M-H]- 366.18232 197.6
[M+NH4]+ 385.22342 200.4
[M+K]+ 406.15276 192.6
[M+H-H2O]+ 350.18686 177.6
[M+HCOO]- 412.18780 212.2
[M+CH3COO]- 426.20345 222.8
[M+Na-2H]- 388.16427 189.8
[M]+ 367.18905 195.6
[M]- 367.19015 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.