CID 380361

Nsc665883

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CNC(=O)N1CN(C2(C1=O)CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N4O2/c1-23-21(28)25-17-26(19-10-6-3-7-11-19)22(20(25)27)12-14-24(15-13-22)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3,(H,23,28)
InChIKey
VBYHBBXVMHIHGB-UHFFFAOYSA-N
Compound name
8-benzyl-N-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 193.2
[M+Na]+ 401.19479 204.8
[M+NH4]+ 396.23939 200.9
[M+K]+ 417.16873 197.4
[M-H]- 377.19829 198.3
[M+Na-2H]- 399.18024 201.6
[M]+ 378.20502 196.1
[M]- 378.20612 196.1
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.