CID 3046990

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

Structural Information

Molecular Formula
C21H24ClN3O
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCCN(C)C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClN3O/c1-16-5-11-19(12-6-16)25-15-20(17-7-9-18(22)10-8-17)21(23-25)26-14-4-13-24(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKey
VXQMUQVWLVZJKV-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)-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

369.1608 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16808 190.3
[M+Na]+ 392.15002 206.0
[M+NH4]+ 387.19462 198.4
[M+K]+ 408.12396 198.2
[M-H]- 368.15352 196.7
[M+Na-2H]- 390.13547 200.0
[M]+ 369.16025 194.8
[M]- 369.16135 194.8
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.