CID 3069766

Brn 5596192

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=C)N2C=CC=N2)O
InChI
InChI=1S/C18H25N3O2/c1-14(21-11-7-10-20-21)16-8-5-6-9-17(16)23-13-15(22)12-19-18(2,3)4/h5-11,15,19,22H,1,12-13H2,2-4H3
InChIKey
JXPMOHORRCTRTH-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 177.3
[M+Na]+ 338.18389 186.5
[M+NH4]+ 333.22849 182.5
[M+K]+ 354.15783 183.6
[M-H]- 314.18739 178.1
[M+Na-2H]- 336.16934 182.4
[M]+ 315.19412 178.5
[M]- 315.19522 178.5
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

No patent data available for this compound.