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]+ 364.20195 190.7
[M+Na]+ 386.18389 195.4
[M-H]- 362.18739 196.0
[M+NH4]+ 381.22849 201.3
[M+K]+ 402.15783 188.2
[M+H-H2O]+ 346.19193 178.6
[M+HCOO]- 408.19287 203.6
[M+CH3COO]- 422.20852 198.0
[M+Na-2H]- 384.16934 189.9
[M]+ 363.19412 184.0
[M]- 363.19522 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.