CID 6112372

Cinnamic acid, monoamide with piperazine-1-ethylamine

Structural Information

Molecular Formula
C15H21N3O
SMILES
C1CN(CCN1)CCNC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O/c19-15(7-6-14-4-2-1-3-5-14)17-10-13-18-11-8-16-9-12-18/h1-7,16H,8-13H2,(H,17,19)/b7-6+
InChIKey
ZBDXFZXQRLMJNH-VOTSOKGWSA-N
Compound name
(E)-3-phenyl-N-(2-piperazin-1-ylethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.0
[M+Na]+ 282.157678 165.1
[M-H]- 258.161184 163.7
[M+NH4]+ 277.202283 175.1
[M+K]+ 298.131618 160.1
[M+H-H2O]+ 242.165720 153.4
[M+HCOO]- 304.166661 179.2
[M+CH3COO]- 318.182311 193.7
[M+Na-2H]- 280.143126 166.5
[M]+ 259.16791142 155.8
[M]- 259.16900858 155.8
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.