CID 3041762

Brn 1166860

Structural Information

Molecular Formula
C22H25BrN2O3
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=C2C=CC(=C3)Br)CN4CCOCC4
InChI
InChI=1S/C22H25BrN2O3/c1-3-25(4-2)22-18(14-24-9-11-27-12-10-24)21(26)20-17-7-6-16(23)13-15(17)5-8-19(20)28-22/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKey
RJCNSDBJILTYIG-UHFFFAOYSA-N
Compound name
8-bromo-3-(diethylamino)-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.10486 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11214 202.8
[M+Na]+ 467.09408 212.2
[M-H]- 443.09758 213.8
[M+NH4]+ 462.13868 214.2
[M+K]+ 483.06802 203.0
[M+H-H2O]+ 427.10212 198.5
[M+HCOO]- 489.10306 217.1
[M+CH3COO]- 503.11871 213.6
[M+Na-2H]- 465.07953 207.6
[M]+ 444.10431 224.6
[M]- 444.10541 224.6
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.