CID 6476329

Methyl (5z)-6-(3-acetyl-4-methoxyphenyl)-6-pyrazin-2-ylhex-5-enoate

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CC(=O)C1=C(C=CC(=C1)/C(=C/CCCC(=O)OC)/C2=NC=CN=C2)OC
InChI
InChI=1S/C20H22N2O4/c1-14(23)17-12-15(8-9-19(17)25-2)16(18-13-21-10-11-22-18)6-4-5-7-20(24)26-3/h6,8-13H,4-5,7H2,1-3H3/b16-6-
InChIKey
HDJSCQBZTSELQF-SOFYXZRVSA-N
Compound name
methyl (Z)-6-(3-acetyl-4-methoxyphenyl)-6-pyrazin-2-ylhex-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.15796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 184.8
[M+Na]+ 377.14718 190.3
[M-H]- 353.15068 188.2
[M+NH4]+ 372.19178 194.4
[M+K]+ 393.12112 186.8
[M+H-H2O]+ 337.15522 174.6
[M+HCOO]- 399.15616 202.8
[M+CH3COO]- 413.17181 214.5
[M+Na-2H]- 375.13263 185.0
[M]+ 354.15741 189.3
[M]- 354.15851 189.3
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.