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

0
Patents

410.1478 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15508 196.0
[M+Na]+ 433.13702 198.6
[M-H]- 409.14052 204.8
[M+NH4]+ 428.18162 198.3
[M+K]+ 449.11096 199.7
[M+H-H2O]+ 393.14506 183.7
[M+HCOO]- 455.14600 200.8
[M+CH3COO]- 469.16165 202.4
[M+Na-2H]- 431.12247 198.0
[M]+ 410.14725 192.5
[M]- 410.14835 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

No patent data available for this compound.