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]+ 359.19655 187.5
[M+Na]+ 381.17849 191.2
[M-H]- 357.18199 188.5
[M+NH4]+ 376.22309 196.3
[M+K]+ 397.15243 185.8
[M+H-H2O]+ 341.18653 177.6
[M+HCOO]- 403.18747 201.9
[M+CH3COO]- 417.20312 212.8
[M+Na-2H]- 379.16394 185.9
[M]+ 358.18872 186.9
[M]- 358.18982 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.