CID 3063729

101564-19-6

Structural Information

Molecular Formula
C20H26N4O
SMILES
C1CCC(CC1)(C#N)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4
InChI
InChI=1S/C20H26N4O/c21-15-19(9-5-2-6-10-19)23-13-11-20(12-14-23)18(25)22-16-24(20)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-14,16H2,(H,22,25)
InChIKey
RVXMNAGHRRJARD-UHFFFAOYSA-N
Compound name
1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

338.21066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 181.7
[M+Na]+ 361.19988 188.1
[M-H]- 337.20338 184.2
[M+NH4]+ 356.24448 193.4
[M+K]+ 377.17382 177.4
[M+H-H2O]+ 321.20792 163.7
[M+HCOO]- 383.20886 188.4
[M+CH3COO]- 397.22451 187.2
[M+Na-2H]- 359.18533 180.7
[M]+ 338.21011 165.5
[M]- 338.21121 165.5
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

patents stripe