CID 3046988

1-propanamine, 3-((4-(4-methoxyphenyl)-1-(4-methylphenyl)-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-,monomethanesulfonate

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCCN(C)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H27N3O2/c1-17-6-10-19(11-7-17)25-16-21(18-8-12-20(26-4)13-9-18)22(23-25)27-15-5-14-24(2)3/h6-13,16H,5,14-15H2,1-4H3
InChIKey
GFYWFVOMBVARQD-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 191.2
[M+Na]+ 388.19955 205.4
[M+NH4]+ 383.24415 198.3
[M+K]+ 404.17349 198.9
[M-H]- 364.20305 197.1
[M+Na-2H]- 386.18500 200.2
[M]+ 365.20978 194.9
[M]- 365.21088 194.9
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

No patent data available for this compound.