CID 3046934

62832-12-6

Structural Information

Molecular Formula
C20H22ClN3O2
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H22ClN3O2/c1-23(2)12-13-26-20-19(15-4-6-16(21)7-5-15)14-24(22-20)17-8-10-18(25-3)11-9-17/h4-11,14H,12-13H2,1-3H3
InChIKey
XSKXVYPZFFCSMG-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14733 188.6
[M+Na]+ 394.12927 204.0
[M+NH4]+ 389.17387 196.2
[M+K]+ 410.10321 197.1
[M-H]- 370.13277 194.5
[M+Na-2H]- 392.11472 198.1
[M]+ 371.13950 192.9
[M]- 371.14060 192.9
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.