CID 10022859

8-aptac10-4-one

Structural Information

Molecular Formula
C25H25N3O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C4CC5=CC=CC6=C5C4=CC=C6
InChI
InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)
InChIKey
BBOAHBVXCYBKLC-UHFFFAOYSA-N
Compound name
8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

43
Patents

383.19977 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.207046 194.0
[M+Na]+ 406.188988 199.7
[M-H]- 382.192494 200.9
[M+NH4]+ 401.233593 207.8
[M+K]+ 422.162928 190.9
[M+H-H2O]+ 366.197030 181.7
[M+HCOO]- 428.197971 204.5
[M+CH3COO]- 442.213621 201.3
[M+Na-2H]- 404.174436 191.9
[M]+ 383.19922142 186.9
[M]- 383.20031858 186.9
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