CID 3040340

K 8408

Structural Information

Molecular Formula
C21H17NO2
SMILES
CN(CC1=CC=CC=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C21H17NO2/c1-22(14-15-7-3-2-4-8-15)20-13-18(23)21-17-10-6-5-9-16(17)11-12-19(21)24-20/h2-13H,14H2,1H3
InChIKey
UCOGNLHNCWRNIJ-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 173.0
[M+Na]+ 338.11514 182.5
[M-H]- 314.11864 183.8
[M+NH4]+ 333.15974 188.3
[M+K]+ 354.08908 178.6
[M+H-H2O]+ 298.12318 163.3
[M+HCOO]- 360.12412 196.7
[M+CH3COO]- 374.13977 185.6
[M+Na-2H]- 336.10059 182.3
[M]+ 315.12537 177.4
[M]- 315.12647 177.4
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.