CID 3040350

K 8151

Structural Information

Molecular Formula
C22H24N2O3
SMILES
C1CCN(C1)C2=C(C(=O)C3=C(O2)C=CC4=CC=CC=C43)CN5CCOCC5
InChI
InChI=1S/C22H24N2O3/c25-21-18(15-23-11-13-26-14-12-23)22(24-9-3-4-10-24)27-19-8-7-16-5-1-2-6-17(16)20(19)21/h1-2,5-8H,3-4,9-15H2
InChIKey
ACZIKFQGSYKPCH-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3-pyrrolidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.185956 185.9
[M+Na]+ 387.167898 192.7
[M-H]- 363.171404 195.1
[M+NH4]+ 382.212503 195.9
[M+K]+ 403.141838 188.8
[M+H-H2O]+ 347.175940 175.0
[M+HCOO]- 409.176881 199.2
[M+CH3COO]- 423.192531 195.2
[M+Na-2H]- 385.153346 188.2
[M]+ 364.17813142 184.5
[M]- 364.17922858 184.5
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.