CID 3046938

62832-14-8

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN(C)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H25N3O2/c1-16-5-7-17(8-6-16)20-15-24(18-9-11-19(25-4)12-10-18)22-21(20)26-14-13-23(2)3/h5-12,15H,13-14H2,1-4H3
InChIKey
DTZQNWAURHSMBU-UHFFFAOYSA-N
Compound name
2-[1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 186.0
[M+Na]+ 374.18389 193.3
[M-H]- 350.18739 194.8
[M+NH4]+ 369.22849 198.4
[M+K]+ 390.15783 189.4
[M+H-H2O]+ 334.19193 175.0
[M+HCOO]- 396.19287 209.3
[M+CH3COO]- 410.20852 220.8
[M+Na-2H]- 372.16934 186.9
[M]+ 351.19412 191.5
[M]- 351.19522 191.5
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.