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

107
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

literature stripe

Patent stripe

patents stripe