CID 71135

Decloxizine

Structural Information

Molecular Formula
C21H28N2O2
SMILES
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2
InChIKey
OXBBIHZWNDPBMQ-UHFFFAOYSA-N
Compound name
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

161
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 184.3
[M+Na]+ 363.20432 185.8
[M-H]- 339.20782 187.7
[M+NH4]+ 358.24892 192.9
[M+K]+ 379.17826 180.5
[M+H-H2O]+ 323.21236 172.7
[M+HCOO]- 385.21330 198.3
[M+CH3COO]- 399.22895 208.7
[M+Na-2H]- 361.18977 185.8
[M]+ 340.21455 180.3
[M]- 340.21565 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe