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]+ 316.201946 178.1
[M+Na]+ 338.183888 182.4
[M-H]- 314.187394 180.5
[M+NH4]+ 333.228493 190.4
[M+K]+ 354.157828 178.7
[M+H-H2O]+ 298.191930 169.3
[M+HCOO]- 360.192871 195.9
[M+CH3COO]- 374.208521 207.4
[M+Na-2H]- 336.169336 179.5
[M]+ 315.19412142 178.5
[M]- 315.19521858 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.