CID 215434

35689-05-5

Structural Information

Molecular Formula
C18H22N2O5
SMILES
CC1=C(OC2=CC3=C(C=C12)OCCO3)C(=O)N4CCN(CC4)CCO
InChI
InChI=1S/C18H22N2O5/c1-12-13-10-15-16(24-9-8-23-15)11-14(13)25-17(12)18(22)20-4-2-19(3-5-20)6-7-21/h10-11,21H,2-9H2,1H3
InChIKey
RVJRDOFNTGSDSO-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazin-1-yl]-(8-methyl-2,3-dihydrofuro[2,3-g][1,4]benzodioxin-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15286 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16014 181.0
[M+Na]+ 369.14208 187.5
[M-H]- 345.14558 186.9
[M+NH4]+ 364.18668 190.3
[M+K]+ 385.11602 186.8
[M+H-H2O]+ 329.15012 172.5
[M+HCOO]- 391.15106 191.4
[M+CH3COO]- 405.16671 190.3
[M+Na-2H]- 367.12753 183.0
[M]+ 346.15231 182.3
[M]- 346.15341 182.3
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.