CID 206090

Brn 0832071

Structural Information

Molecular Formula
C19H18BrNO3
SMILES
COC1=CC(=C2C(=C1CN3CCOCC3)C4=CC=CC=C4C2=O)Br
InChI
InChI=1S/C19H18BrNO3/c1-23-16-10-15(20)18-17(12-4-2-3-5-13(12)19(18)22)14(16)11-21-6-8-24-9-7-21/h2-5,10H,6-9,11H2,1H3
InChIKey
RXESMMICZSSKEE-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-4-(morpholin-4-ylmethyl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.047 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05428 186.9
[M+Na]+ 410.03622 197.8
[M-H]- 386.03972 196.8
[M+NH4]+ 405.08082 203.6
[M+K]+ 426.01016 187.2
[M+H-H2O]+ 370.04426 185.5
[M+HCOO]- 432.04520 201.7
[M+CH3COO]- 446.06085 199.2
[M+Na-2H]- 408.02167 189.8
[M]+ 387.04645 206.6
[M]- 387.04755 206.6
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.