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 178.1
[M+Na]+ 338.18389 182.4
[M-H]- 314.18739 180.5
[M+NH4]+ 333.22849 190.4
[M+K]+ 354.15783 178.7
[M+H-H2O]+ 298.19193 169.3
[M+HCOO]- 360.19287 195.9
[M+CH3COO]- 374.20852 207.4
[M+Na-2H]- 336.16934 179.5
[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.