CID 94342

Dibozane

Structural Information

Molecular Formula
C22H26N2O4
SMILES
C1CN(CCN1CC2COC3=CC=CC=C3O2)CC4COC5=CC=CC=C5O4
InChI
InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2
InChIKey
PDDQPUUOEBGDSN-UHFFFAOYSA-N
Compound name
1,4-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4
Patents

382.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 195.2
[M+Na]+ 405.17849 210.0
[M+NH4]+ 400.22309 203.1
[M+K]+ 421.15243 202.5
[M-H]- 381.18199 206.4
[M+Na-2H]- 403.16394 199.2
[M]+ 382.18872 200.7
[M]- 382.18982 200.7
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