CID 114364

N-(3,4,5-triallyloxybenzoyl)-piperazine hydrochloride

Structural Information

Molecular Formula
C20H26N2O4
SMILES
C=CCOC1=CC(=CC(=C1OCC=C)OCC=C)C(=O)N2CCNCC2
InChI
InChI=1S/C20H26N2O4/c1-4-11-24-17-14-16(20(23)22-9-7-21-8-10-22)15-18(25-12-5-2)19(17)26-13-6-3/h4-6,14-15,21H,1-3,7-13H2
InChIKey
VVUCKONKPHXDCQ-UHFFFAOYSA-N
Compound name
piperazin-1-yl-[3,4,5-tris(prop-2-enoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.196546 187.5
[M+Na]+ 381.178488 191.2
[M-H]- 357.181994 188.5
[M+NH4]+ 376.223093 196.3
[M+K]+ 397.152428 185.8
[M+H-H2O]+ 341.186530 177.6
[M+HCOO]- 403.187471 201.9
[M+CH3COO]- 417.203121 212.8
[M+Na-2H]- 379.163936 185.9
[M]+ 358.18872142 186.9
[M]- 358.18981858 186.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.