CID 3078757

Brn 5994661

Structural Information

Molecular Formula
C20H18BrNO3
SMILES
C1COCCN1C2C(=CC3=C(O2)C=CC(=C3)Br)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H18BrNO3/c21-16-6-7-18-15(12-16)13-17(19(23)14-4-2-1-3-5-14)20(25-18)22-8-10-24-11-9-22/h1-7,12-13,20H,8-11H2
InChIKey
SUPYCNZLBMTYKU-UHFFFAOYSA-N
Compound name
(6-bromo-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.047 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05428 181.4
[M+Na]+ 422.03622 187.2
[M+NH4]+ 417.08082 186.3
[M+K]+ 438.01016 185.8
[M-H]- 398.03972 188.0
[M+Na-2H]- 420.02167 185.7
[M]+ 399.04645 183.2
[M]- 399.04755 183.2
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.