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

35
Patents

383.19977 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 194.0
[M+Na]+ 406.18899 199.7
[M-H]- 382.19249 200.9
[M+NH4]+ 401.23359 207.8
[M+K]+ 422.16293 190.9
[M+H-H2O]+ 366.19703 181.7
[M+HCOO]- 428.19797 204.5
[M+CH3COO]- 442.21362 201.3
[M+Na-2H]- 404.17444 191.9
[M]+ 383.19922 186.9
[M]- 383.20032 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

No literature data available for this compound.

Patent stripe

patents stripe