CID 3040347

K 8147

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CCN(CC)C1=C(C(=O)C2=C(O1)C=CC3=CC=CC=C32)CN4CCCCC4
InChI
InChI=1S/C23H28N2O2/c1-3-25(4-2)23-19(16-24-14-8-5-9-15-24)22(26)21-18-11-7-6-10-17(18)12-13-20(21)27-23/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3
InChIKey
CIQYNIHCUNPSRU-UHFFFAOYSA-N
Compound name
3-(diethylamino)-2-(piperidin-1-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 189.7
[M+Na]+ 387.20432 195.9
[M-H]- 363.20782 197.7
[M+NH4]+ 382.24892 201.5
[M+K]+ 403.17826 191.8
[M+H-H2O]+ 347.21236 178.6
[M+HCOO]- 409.21330 207.0
[M+CH3COO]- 423.22895 199.2
[M+Na-2H]- 385.18977 194.1
[M]+ 364.21455 191.2
[M]- 364.21565 191.2
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.