CID 57604

3633 ct

Structural Information

Molecular Formula
C20H21NO4
SMILES
C1COCCN1CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H21NO4/c22-20(15-4-2-1-3-5-15)16-6-7-18-19(12-16)25-17(14-24-18)13-21-8-10-23-11-9-21/h1-7,12,17H,8-11,13-14H2
InChIKey
IUCOHPOUCNBXIO-UHFFFAOYSA-N
Compound name
[3-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 180.4
[M+Na]+ 362.136278 183.9
[M-H]- 338.139784 189.6
[M+NH4]+ 357.180883 187.9
[M+K]+ 378.110218 183.4
[M+H-H2O]+ 322.144320 169.6
[M+HCOO]- 384.145261 192.2
[M+CH3COO]- 398.160911 189.2
[M+Na-2H]- 360.121726 184.5
[M]+ 339.14651142 177.6
[M]- 339.14760858 177.6
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