CID 3047057

62858-80-4

Structural Information

Molecular Formula
C20H23N3O
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-16-9-11-18(12-10-16)23-15-19(17-7-5-4-6-8-17)20(21-23)24-14-13-22(2)3/h4-12,15H,13-14H2,1-3H3
InChIKey
ITENUOUOKPZTTH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(4-methylphenyl)-4-phenylpyrazol-3-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 178.1
[M+Na]+ 344.173318 185.2
[M-H]- 320.176824 186.8
[M+NH4]+ 339.217923 191.6
[M+K]+ 360.147258 180.9
[M+H-H2O]+ 304.181360 167.3
[M+HCOO]- 366.182301 201.6
[M+CH3COO]- 380.197951 214.6
[M+Na-2H]- 342.158766 180.3
[M]+ 321.18355142 181.5
[M]- 321.18464858 181.5
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.