CID 3014140

Piclopastine

Structural Information

Molecular Formula
C20H26ClN3O2
SMILES
C1CN(CCN1CCOCCO)C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C20H26ClN3O2/c21-18-6-4-17(5-7-18)20(19-3-1-2-8-22-19)24-11-9-23(10-12-24)13-15-26-16-14-25/h1-8,20,25H,9-16H2
InChIKey
CQMJYIJMUFRNKJ-UHFFFAOYSA-N
Compound name
2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

375.17136 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17864 189.4
[M+Na]+ 398.16058 193.0
[M-H]- 374.16408 191.7
[M+NH4]+ 393.20518 196.4
[M+K]+ 414.13452 186.3
[M+H-H2O]+ 358.16862 177.5
[M+HCOO]- 420.16956 197.7
[M+CH3COO]- 434.18521 213.1
[M+Na-2H]- 396.14603 190.4
[M]+ 375.17081 188.2
[M]- 375.17191 188.2
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.