CID 203032

13694-53-6

Structural Information

Molecular Formula
C19H25N3O
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=NC=C3
InChI
InChI=1S/C19H25N3O/c1-2-23-19(16-17-6-4-3-5-7-17)22-14-12-21(13-15-22)18-8-10-20-11-9-18/h3-11,19H,2,12-16H2,1H3
InChIKey
IVKPMCTXYVTWKB-UHFFFAOYSA-N
Compound name
1-(1-ethoxy-2-phenylethyl)-4-pyridin-4-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.207046 177.1
[M+Na]+ 334.188988 180.0
[M-H]- 310.192494 180.7
[M+NH4]+ 329.233593 186.2
[M+K]+ 350.162928 175.1
[M+H-H2O]+ 294.197030 164.7
[M+HCOO]- 356.197971 191.6
[M+CH3COO]- 370.213621 185.0
[M+Na-2H]- 332.174436 180.0
[M]+ 311.19922142 173.2
[M]- 311.20031858 173.2
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.