CID 6474705

(e)-1-(5-tert-butylpyrazin-2-yl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC(C)(C)C1=NC=C(N=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C18H20N2O3/c1-18(2,3)17-11-19-13(10-20-17)14(21)7-5-12-6-8-15(22)16(9-12)23-4/h5-11,22H,1-4H3/b7-5+
InChIKey
MSDYQMKTHWVOHP-FNORWQNLSA-N
Compound name
(E)-1-(5-tert-butylpyrazin-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 175.4
[M+Na]+ 335.13662 183.2
[M-H]- 311.14012 178.4
[M+NH4]+ 330.18122 186.9
[M+K]+ 351.11056 178.7
[M+H-H2O]+ 295.14466 166.7
[M+HCOO]- 357.14560 192.6
[M+CH3COO]- 371.16125 204.8
[M+Na-2H]- 333.12207 178.5
[M]+ 312.14685 177.8
[M]- 312.14795 177.8
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.