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]+ 322.19138 178.1
[M+Na]+ 344.17332 185.2
[M-H]- 320.17682 186.8
[M+NH4]+ 339.21792 191.6
[M+K]+ 360.14726 180.9
[M+H-H2O]+ 304.18136 167.3
[M+HCOO]- 366.18230 201.6
[M+CH3COO]- 380.19795 214.6
[M+Na-2H]- 342.15877 180.3
[M]+ 321.18355 181.5
[M]- 321.18465 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.