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]+ 379.201616 191.6
[M+Na]+ 401.183558 196.8
[M-H]- 377.187064 199.7
[M+NH4]+ 396.228163 198.7
[M+K]+ 417.157498 192.8
[M+H-H2O]+ 361.191600 178.5
[M+HCOO]- 423.192541 202.0
[M+CH3COO]- 437.208191 199.3
[M+Na-2H]- 399.169006 195.3
[M]+ 378.19379142 187.9
[M]- 378.19488858 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.