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]+ 312.207046 177.8
[M+Na]+ 334.188988 182.1
[M-H]- 310.192494 181.7
[M+NH4]+ 329.233593 187.4
[M+K]+ 350.162928 176.6
[M+H-H2O]+ 294.197030 165.5
[M+HCOO]- 356.197971 193.4
[M+CH3COO]- 370.213621 186.1
[M+Na-2H]- 332.174436 181.0
[M]+ 311.19922142 174.9
[M]- 311.20031858 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.