CID 4478366

617677-53-9

Structural Information

Molecular Formula
C22H22N2O6
SMILES
C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4COC5=CC=CC=C5O4
InChI
InChI=1S/C22H22N2O6/c25-21(19-13-27-15-5-1-3-7-17(15)29-19)23-9-11-24(12-10-23)22(26)20-14-28-16-6-2-4-8-18(16)30-20/h1-8,19-20H,9-14H2
InChIKey
RYWJYOGVNZEBKW-UHFFFAOYSA-N
Compound name
[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.1478 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.155076 196.0
[M+Na]+ 433.137018 198.6
[M-H]- 409.140524 204.8
[M+NH4]+ 428.181623 198.3
[M+K]+ 449.110958 199.7
[M+H-H2O]+ 393.145060 183.7
[M+HCOO]- 455.146001 200.8
[M+CH3COO]- 469.161651 202.4
[M+Na-2H]- 431.122466 198.0
[M]+ 410.14725142 192.5
[M]- 410.14834858 192.5
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

patents stripe