CID 3040351

K 8150

Structural Information

Molecular Formula
C23H26N2O3
SMILES
C1CCN(CC1)C2=C(C(=O)C3=C(O2)C=CC4=CC=CC=C43)CN5CCOCC5
InChI
InChI=1S/C23H26N2O3/c26-22-19(16-24-12-14-27-15-13-24)23(25-10-4-1-5-11-25)28-20-9-8-17-6-2-3-7-18(17)21(20)22/h2-3,6-9H,1,4-5,10-16H2
InChIKey
XVCJISIEXOJOSQ-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3-piperidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 191.6
[M+Na]+ 401.18356 196.8
[M-H]- 377.18706 199.7
[M+NH4]+ 396.22816 198.7
[M+K]+ 417.15750 192.8
[M+H-H2O]+ 361.19160 178.5
[M+HCOO]- 423.19254 202.0
[M+CH3COO]- 437.20819 199.3
[M+Na-2H]- 399.16901 195.3
[M]+ 378.19379 187.9
[M]- 378.19489 187.9
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.