CID 3079072

Brn 6000557

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN(CCC12C(=O)N(C(=O)N2)CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21-23(24-22(28)26(21)16-12-20-9-5-2-6-10-20)13-17-25(18-14-23)15-11-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,24,28)
InChIKey
NYUBXDKVLVPBNE-UHFFFAOYSA-N
Compound name
3,8-bis(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.8
[M+Na]+ 400.19955 199.1
[M-H]- 376.20305 199.9
[M+NH4]+ 395.24415 204.9
[M+K]+ 416.17349 191.6
[M+H-H2O]+ 360.20759 182.6
[M+HCOO]- 422.20853 207.4
[M+CH3COO]- 436.22418 201.7
[M+Na-2H]- 398.18500 193.6
[M]+ 377.20978 188.4
[M]- 377.21088 188.4
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

No patent data available for this compound.