CID 203761

Brn 0732120

Structural Information

Molecular Formula
C22H34N6O4
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)CN4C(=O)C5(CCCCC5)NC4=O
InChI
InChI=1S/C22H34N6O4/c29-17-21(7-3-1-4-8-21)23-19(31)27(17)15-25-11-13-26(14-12-25)16-28-18(30)22(24-20(28)32)9-5-2-6-10-22/h1-16H2,(H,23,31)(H,24,32)
InChIKey
GMDVXOAWTFSXFO-UHFFFAOYSA-N
Compound name
3-[[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.26416 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.27144 214.8
[M+Na]+ 469.25338 215.7
[M-H]- 445.25688 215.8
[M+NH4]+ 464.29798 220.6
[M+K]+ 485.22732 209.5
[M+H-H2O]+ 429.26142 201.8
[M+HCOO]- 491.26236 213.5
[M+CH3COO]- 505.27801 216.7
[M+Na-2H]- 467.23883 204.8
[M]+ 446.26361 199.0
[M]- 446.26471 199.0
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.