CID 3078762

Brn 6002915

Structural Information

Molecular Formula
C20H17Br2NO3
SMILES
C1COCCN1C2C(=CC3=C(O2)C(=CC(=C3)Br)Br)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H17Br2NO3/c21-15-10-14-11-16(18(24)13-4-2-1-3-5-13)20(23-6-8-25-9-7-23)26-19(14)17(22)12-15/h1-5,10-12,20H,6-9H2
InChIKey
RWDXMWPLZCFGKB-UHFFFAOYSA-N
Compound name
(6,8-dibromo-2-morpholin-4-yl-2H-chromen-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.95752 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.96480 188.2
[M+Na]+ 499.94674 194.8
[M-H]- 475.95024 198.8
[M+NH4]+ 494.99134 198.3
[M+K]+ 515.92068 183.0
[M+H-H2O]+ 459.95478 194.5
[M+HCOO]- 521.95572 196.3
[M+CH3COO]- 535.97137 198.1
[M+Na-2H]- 497.93219 191.4
[M]+ 476.95697 220.1
[M]- 476.95807 220.1
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.