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

0
Patents

339.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.4
[M+Na]+ 362.13628 183.9
[M-H]- 338.13978 189.6
[M+NH4]+ 357.18088 187.9
[M+K]+ 378.11022 183.4
[M+H-H2O]+ 322.14432 169.6
[M+HCOO]- 384.14526 192.2
[M+CH3COO]- 398.16091 189.2
[M+Na-2H]- 360.12173 184.5
[M]+ 339.14651 177.6
[M]- 339.14761 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