CID 3078760

Brn 6001894

Structural Information

Molecular Formula
C21H21NO4
SMILES
COC1=CC=CC2=C1OC(C(=C2)C(=O)C3=CC=CC=C3)N4CCOCC4
InChI
InChI=1S/C21H21NO4/c1-24-18-9-5-8-16-14-17(19(23)15-6-3-2-4-7-15)21(26-20(16)18)22-10-12-25-13-11-22/h2-9,14,21H,10-13H2,1H3
InChIKey
GPMAYPKCHSRXLD-UHFFFAOYSA-N
Compound name
(8-methoxy-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 183.0
[M+Na]+ 374.13628 198.2
[M+NH4]+ 369.18088 191.0
[M+K]+ 390.11022 190.8
[M-H]- 350.13978 191.7
[M+Na-2H]- 372.12173 190.4
[M]+ 351.14651 187.8
[M]- 351.14761 187.8
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.