CID 98814

1054-89-3

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21(19-8-3-1-4-9-19)12-7-15-25-16-13-23(14-17-25)22(28)24-18-26(23)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,28)
InChIKey
LAYJMFIIXJDEDW-UHFFFAOYSA-N
Compound name
8-(4-oxo-4-phenylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

377.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 194.3
[M+Na]+ 400.199548 197.3
[M-H]- 376.203054 199.1
[M+NH4]+ 395.244153 203.9
[M+K]+ 416.173488 190.4
[M+H-H2O]+ 360.207590 182.1
[M+HCOO]- 422.208531 205.9
[M+CH3COO]- 436.224181 200.8
[M+Na-2H]- 398.184996 192.7
[M]+ 377.20978142 186.9
[M]- 377.21087858 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