CID 380361

54286-34-9

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 192.9
[M+Na]+ 401.19479 197.1
[M-H]- 377.19829 199.8
[M+NH4]+ 396.23939 203.5
[M+K]+ 417.16873 191.3
[M+H-H2O]+ 361.20283 180.8
[M+HCOO]- 423.20377 207.5
[M+CH3COO]- 437.21942 200.5
[M+Na-2H]- 399.18024 192.5
[M]+ 378.20502 186.8
[M]- 378.20612 186.8
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.