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 196.9
[M+Na]+ 452.04678 204.3
[M-H]- 428.05028 208.2
[M+NH4]+ 447.09138 206.7
[M+K]+ 468.02072 195.9
[M+H-H2O]+ 412.05482 193.2
[M+HCOO]- 474.05576 208.4
[M+CH3COO]- 488.07141 207.1
[M+Na-2H]- 450.03223 199.9
[M]+ 429.05701 214.6
[M]- 429.05811 214.6
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

No patent data available for this compound.