CID 3040341

K 8398

Structural Information

Molecular Formula
C22H19NO2
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C22H19NO2/c1-2-23(15-16-8-4-3-5-9-16)21-14-19(24)22-18-11-7-6-10-17(18)12-13-20(22)25-21/h3-14H,2,15H2,1H3
InChIKey
BDOQMVZRPLIJGY-UHFFFAOYSA-N
Compound name
3-[benzyl(ethyl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14157 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 177.8
[M+Na]+ 352.13079 186.8
[M-H]- 328.13429 188.4
[M+NH4]+ 347.17539 192.4
[M+K]+ 368.10473 182.7
[M+H-H2O]+ 312.13883 167.9
[M+HCOO]- 374.13977 201.1
[M+CH3COO]- 388.15542 189.9
[M+Na-2H]- 350.11624 186.5
[M]+ 329.14102 182.5
[M]- 329.14212 182.5
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.