CID 37875

Nsc288397

Structural Information

Molecular Formula
C27H32N2O3
SMILES
C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)CN5CCCCC5
InChI
InChI=1S/C27H32N2O3/c30-24(18-28-11-3-1-4-12-28)20-7-9-26-22(15-20)17-23-16-21(8-10-27(23)32-26)25(31)19-29-13-5-2-6-14-29/h7-10,15-16H,1-6,11-14,17-19H2
InChIKey
LQLRKABTMZKMIR-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1-[7-(2-piperidin-1-ylacetyl)-9H-xanthen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

432.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 206.1
[M+Na]+ 455.23052 205.7
[M-H]- 431.23402 211.5
[M+NH4]+ 450.27512 211.2
[M+K]+ 471.20446 200.7
[M+H-H2O]+ 415.23856 192.6
[M+HCOO]- 477.23950 211.3
[M+CH3COO]- 491.25515 210.4
[M+Na-2H]- 453.21597 204.3
[M]+ 432.24075 197.9
[M]- 432.24185 197.9
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.