CID 3078761

Brn 6008370

Structural Information

Molecular Formula
C21H20BrNO4
SMILES
COC1=CC(=CC2=C1OC(C(=C2)C(=O)C3=CC=CC=C3)N4CCOCC4)Br
InChI
InChI=1S/C21H20BrNO4/c1-25-18-13-16(22)11-15-12-17(19(24)14-5-3-2-4-6-14)21(27-20(15)18)23-7-9-26-10-8-23/h2-6,11-13,21H,7-10H2,1H3
InChIKey
IUPSJWQDBWDSOC-UHFFFAOYSA-N
Compound name
(6-bromo-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

429.05756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.06484 188.9
[M+Na]+ 452.04678 194.3
[M+NH4]+ 447.09138 193.0
[M+K]+ 468.02072 193.3
[M-H]- 428.05028 195.0
[M+Na-2H]- 450.03223 192.3
[M]+ 429.05701 190.4
[M]- 429.05811 190.4
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.