CID 3041766

K 9958

Structural Information

Molecular Formula
C24H28N2O4
SMILES
COC1=CC2=C(C=C1)C=CC3=C2C(=O)C(=C(O3)N4CCCCC4)CN5CCOCC5
InChI
InChI=1S/C24H28N2O4/c1-28-18-7-5-17-6-8-21-22(19(17)15-18)23(27)20(16-25-11-13-29-14-12-25)24(30-21)26-9-3-2-4-10-26/h5-8,15H,2-4,9-14,16H2,1H3
InChIKey
VPINQPLLHJQCPX-UHFFFAOYSA-N
Compound name
9-methoxy-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

408.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 200.0
[M+Na]+ 431.19412 205.4
[M-H]- 407.19762 208.4
[M+NH4]+ 426.23872 206.1
[M+K]+ 447.16806 202.0
[M+H-H2O]+ 391.20216 186.7
[M+HCOO]- 453.20310 210.1
[M+CH3COO]- 467.21875 207.4
[M+Na-2H]- 429.17957 202.6
[M]+ 408.20435 198.4
[M]- 408.20545 198.4
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.