CID 6434395

Cinepazet

Structural Information

Molecular Formula
C20H28N2O6
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+
InChIKey
XDUOTWNXVDBCDY-VOTSOKGWSA-N
Compound name
ethyl 2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

1064
Patents

392.19473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.202006 193.0
[M+Na]+ 415.183948 197.3
[M-H]- 391.187454 195.9
[M+NH4]+ 410.228553 201.4
[M+K]+ 431.157888 195.4
[M+H-H2O]+ 375.191990 182.9
[M+HCOO]- 437.192931 208.1
[M+CH3COO]- 451.208581 221.0
[M+Na-2H]- 413.169396 190.5
[M]+ 392.19418142 197.6
[M]- 392.19527858 197.6
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

patents stripe