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 189.5
[M+Na]+ 422.03622 196.9
[M-H]- 398.03972 200.7
[M+NH4]+ 417.08082 200.5
[M+K]+ 438.01016 187.9
[M+H-H2O]+ 382.04426 186.3
[M+HCOO]- 444.04520 201.4
[M+CH3COO]- 458.06085 200.1
[M+Na-2H]- 420.02167 193.7
[M]+ 399.04645 205.3
[M]- 399.04755 205.3
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.