CID 11417954

Adl-5859

Structural Information

Molecular Formula
C24H28N2O3
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC(=C42)O
InChI
InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
InChIKey
OPIKUXLJQFYMSC-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

128
Patents

392.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.21728 196.7
[M+Na]+ 415.19922 200.2
[M-H]- 391.20272 202.8
[M+NH4]+ 410.24382 206.8
[M+K]+ 431.17316 196.2
[M+H-H2O]+ 375.20726 186.1
[M+HCOO]- 437.20820 208.7
[M+CH3COO]- 451.22385 203.9
[M+Na-2H]- 413.18467 198.9
[M]+ 392.20945 192.6
[M]- 392.21055 192.6
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.