CID 3046992

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

Structural Information

Molecular Formula
C22H27N3O
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCCN(C)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H27N3O/c1-17-6-10-19(11-7-17)21-16-25(20-12-8-18(2)9-13-20)23-22(21)26-15-5-14-24(3)4/h6-13,16H,5,14-15H2,1-4H3
InChIKey
CQCMJHRJIJNLJO-UHFFFAOYSA-N
Compound name
3-[1,4-bis(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

349.21542 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 188.1
[M+Na]+ 372.20464 202.8
[M+NH4]+ 367.24924 195.7
[M+K]+ 388.17858 195.8
[M-H]- 348.20814 194.4
[M+Na-2H]- 370.19009 197.6
[M]+ 349.21487 192.1
[M]- 349.21597 192.1
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.