CID 3069770

3-(tert-butylamino)-1-(4-chloro-6-(1-(1h-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate

Structural Information

Molecular Formula
C18H24ClN3O2
SMILES
CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=C)N2C=CC=N2)O
InChI
InChI=1S/C18H24ClN3O2/c1-13(22-9-5-8-21-22)16-10-14(19)6-7-17(16)24-12-15(23)11-20-18(2,3)4/h5-10,15,20,23H,1,11-12H2,2-4H3
InChIKey
RKRUKHATWVFPND-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16298 184.0
[M+Na]+ 372.14492 194.3
[M+NH4]+ 367.18952 189.4
[M+K]+ 388.11886 190.7
[M-H]- 348.14842 184.9
[M+Na-2H]- 370.13037 188.8
[M]+ 349.15515 185.8
[M]- 349.15625 185.8
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.