CID 3079071

Brn 6000656

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CN(CCC12C(=O)N(C(=O)N2)CC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-20-22(23-21(27)25(20)17-19-9-5-2-6-10-19)12-15-24(16-13-22)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27)
InChIKey
UGMIEJIVHYHFOY-UHFFFAOYSA-N
Compound name
3-benzyl-8-(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

363.19467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 190.7
[M+Na]+ 386.183888 195.4
[M-H]- 362.187394 196.0
[M+NH4]+ 381.228493 201.3
[M+K]+ 402.157828 188.2
[M+H-H2O]+ 346.191930 178.6
[M+HCOO]- 408.192871 203.6
[M+CH3COO]- 422.208521 198.0
[M+Na-2H]- 384.169336 189.9
[M]+ 363.19412142 184.0
[M]- 363.19521858 184.0
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.