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]+ 336.207046 182.9
[M+Na]+ 358.188988 190.5
[M-H]- 334.192494 191.8
[M+NH4]+ 353.233593 196.2
[M+K]+ 374.162928 185.9
[M+H-H2O]+ 318.197030 172.2
[M+HCOO]- 380.197971 206.1
[M+CH3COO]- 394.213621 218.7
[M+Na-2H]- 356.174436 183.8
[M]+ 335.19922142 187.1
[M]- 335.20031858 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.