CID 3046960

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

Structural Information

Molecular Formula
C21H25N3O
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN(C)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H25N3O/c1-16-5-9-18(10-6-16)20-15-24(19-11-7-17(2)8-12-19)22-21(20)25-14-13-23(3)4/h5-12,15H,13-14H2,1-4H3
InChIKey
MOODKFJAGOJIKD-UHFFFAOYSA-N
Compound name
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.9
[M+Na]+ 358.18899 190.5
[M-H]- 334.19249 191.8
[M+NH4]+ 353.23359 196.2
[M+K]+ 374.16293 185.9
[M+H-H2O]+ 318.19703 172.2
[M+HCOO]- 380.19797 206.1
[M+CH3COO]- 394.21362 218.7
[M+Na-2H]- 356.17444 183.8
[M]+ 335.19922 187.1
[M]- 335.20032 187.1
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.