CID 37875

Nsc 288397

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
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe