CID 68710

Toprilidine

Structural Information

Molecular Formula
C19H25N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=CC=N3
InChI
InChI=1S/C19H25N3O/c1-17-7-2-3-8-18(17)22-14-12-21(13-15-22)11-6-16-23-19-9-4-5-10-20-19/h2-5,7-10H,6,11-16H2,1H3
InChIKey
CRXVPWCHOPXHMN-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-4-(3-pyridin-2-yloxypropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

311.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 177.8
[M+Na]+ 334.18899 182.1
[M-H]- 310.19249 181.7
[M+NH4]+ 329.23359 187.4
[M+K]+ 350.16293 176.6
[M+H-H2O]+ 294.19703 165.5
[M+HCOO]- 356.19797 193.4
[M+CH3COO]- 370.21362 186.1
[M+Na-2H]- 332.17444 181.0
[M]+ 311.19922 174.9
[M]- 311.20032 174.9
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.