CID 3044957

K 9846

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C17H16BrNO2/c1-3-19(4-2)16-10-14(20)17-13-7-6-12(18)9-11(13)5-8-15(17)21-16/h5-10H,3-4H2,1-2H3
InChIKey
YMUQGYGKVJCOBR-UHFFFAOYSA-N
Compound name
8-bromo-3-(diethylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03644 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 165.3
[M+Na]+ 368.02566 172.2
[M+NH4]+ 363.07026 171.1
[M+K]+ 383.99960 170.2
[M-H]- 344.02916 169.7
[M+Na-2H]- 366.01111 169.8
[M]+ 345.03589 166.7
[M]- 345.03699 166.7
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.