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]+ 365.18596 185.9
[M+Na]+ 387.16790 192.7
[M-H]- 363.17140 195.1
[M+NH4]+ 382.21250 195.9
[M+K]+ 403.14184 188.8
[M+H-H2O]+ 347.17594 175.0
[M+HCOO]- 409.17688 199.2
[M+CH3COO]- 423.19253 195.2
[M+Na-2H]- 385.15335 188.2
[M]+ 364.17813 184.5
[M]- 364.17923 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.