CID 3046942

62832-17-1

Structural Information

Molecular Formula
C20H22ClN3O2
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3O2/c1-23(2)12-13-26-20-19(15-4-10-18(25-3)11-5-15)14-24(22-20)17-8-6-16(21)7-9-17/h4-11,14H,12-13H2,1-3H3
InChIKey
DCHYHKIONWSGAT-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-4-(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 188.7
[M+Na]+ 394.12927 197.1
[M-H]- 370.13277 197.3
[M+NH4]+ 389.17387 201.1
[M+K]+ 410.10321 191.9
[M+H-H2O]+ 354.13731 178.0
[M+HCOO]- 416.13825 207.6
[M+CH3COO]- 430.15390 221.3
[M+Na-2H]- 392.11472 189.5
[M]+ 371.13950 196.0
[M]- 371.14060 196.0
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.