CID 11200189

Adl5747

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)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
InChIKey
ALGHKWSXJUQNJJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

58
Patents

392.21 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.217276 196.7
[M+Na]+ 415.199218 200.2
[M-H]- 391.202724 202.8
[M+NH4]+ 410.243823 206.8
[M+K]+ 431.173158 196.2
[M+H-H2O]+ 375.207260 186.1
[M+HCOO]- 437.208201 208.7
[M+CH3COO]- 451.223851 203.9
[M+Na-2H]- 413.184666 198.9
[M]+ 392.20945142 192.6
[M]- 392.21054858 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