CID 380273

Nsc665751

Structural Information

Molecular Formula
C20H28N4O2
SMILES
CN1CCC2(CC1)C(=O)N(C(=O)N2C3=CC=CC=C3)N4CCCCCC4
InChI
InChI=1S/C20H28N4O2/c1-21-15-11-20(12-16-21)18(25)24(22-13-7-2-3-8-14-22)19(26)23(20)17-9-5-4-6-10-17/h4-6,9-10H,2-3,7-8,11-16H2,1H3
InChIKey
BZGVSMDSAIQMOO-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 190.4
[M+Na]+ 379.21044 193.6
[M-H]- 355.21394 196.3
[M+NH4]+ 374.25504 199.9
[M+K]+ 395.18438 191.3
[M+H-H2O]+ 339.21848 176.5
[M+HCOO]- 401.21942 199.6
[M+CH3COO]- 415.23507 196.7
[M+Na-2H]- 377.19589 186.7
[M]+ 356.22067 178.9
[M]- 356.22177 178.9
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.