CID 101920514

D,l-dropropizine n,n-dioxide

Structural Information

Molecular Formula
C13H20N2O4
SMILES
C1C[N+](CC[N+]1(CC(CO)O)[O-])(C2=CC=CC=C2)[O-]
InChI
InChI=1S/C13H20N2O4/c16-11-13(17)10-14(18)6-8-15(19,9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
InChIKey
ORQHBRZAGJIZCU-UHFFFAOYSA-N
Compound name
3-(1,4-dioxido-4-phenylpiperazine-1,4-diium-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 165.3
[M+Na]+ 291.13152 178.3
[M+NH4]+ 286.17612 175.0
[M+K]+ 307.10546 172.8
[M-H]- 267.13502 168.4
[M+Na-2H]- 289.11697 172.5
[M]+ 268.14175 168.1
[M]- 268.14285 168.1
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.