CID 54567

Fezolamine

Structural Information

Molecular Formula
C20H23N3
SMILES
CN(C)CCCN1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3/c1-22(2)14-9-15-23-16-19(17-10-5-3-6-11-17)20(21-23)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKey
NELSQLPTEWCHQW-UHFFFAOYSA-N
Compound name
3-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3249
Patents

305.1892 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.196476 174.6
[M+Na]+ 328.178418 180.9
[M-H]- 304.181924 182.8
[M+NH4]+ 323.223023 188.5
[M+K]+ 344.152358 175.9
[M+H-H2O]+ 288.186460 163.7
[M+HCOO]- 350.187401 197.9
[M+CH3COO]- 364.203051 185.6
[M+Na-2H]- 326.163866 177.5
[M]+ 305.18865142 176.2
[M]- 305.18974858 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe