CID 374395

Nsc652105

Structural Information

Molecular Formula
C20H36N4O4
SMILES
CC1(CNC(=O)C2(CCCO2)CNC(CNC(=O)C3(CCCO3)CN1)(C)C)C
InChI
InChI=1S/C20H36N4O4/c1-17(2)11-21-15(25)20(8-6-10-28-20)14-24-18(3,4)12-22-16(26)19(13-23-17)7-5-9-27-19/h23-24H,5-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
YCZKKAACHGXNQZ-UHFFFAOYSA-N
Compound name
8,8,19,19-tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.412.65]docosane-11,22-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27365 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28093 195.5
[M+Na]+ 419.26287 199.0
[M-H]- 395.26637 192.1
[M+NH4]+ 414.30747 204.7
[M+K]+ 435.23681 197.1
[M+H-H2O]+ 379.27091 192.0
[M+HCOO]- 441.27185 195.4
[M+CH3COO]- 455.28750 199.4
[M+Na-2H]- 417.24832 191.6
[M]+ 396.27310 181.0
[M]- 396.27420 181.0
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.