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]+ 352.201946 186.0
[M+Na]+ 374.183888 193.3
[M-H]- 350.187394 194.8
[M+NH4]+ 369.228493 198.4
[M+K]+ 390.157828 189.4
[M+H-H2O]+ 334.191930 175.0
[M+HCOO]- 396.192871 209.3
[M+CH3COO]- 410.208521 220.8
[M+Na-2H]- 372.169336 186.9
[M]+ 351.19412142 191.5
[M]- 351.19521858 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.