CID 3169

Dropropizine

Structural Information

Molecular Formula
C13H20N2O2
SMILES
C1CN(CCN1CC(CO)O)C2=CC=CC=C2
InChI
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
InChIKey
PTVWPYVOOKLBCG-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperazin-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

105
References

2876
Patents

236.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.3
[M+Na]+ 259.14170 159.9
[M-H]- 235.14520 156.3
[M+NH4]+ 254.18630 169.3
[M+K]+ 275.11564 156.3
[M+H-H2O]+ 219.14974 147.6
[M+HCOO]- 281.15068 170.4
[M+CH3COO]- 295.16633 186.4
[M+Na-2H]- 257.12715 159.1
[M]+ 236.15193 150.6
[M]- 236.15303 150.6
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