CID 374398

Nsc652108

Structural Information

Molecular Formula
C22H40N4O4
SMILES
CC(C)C1CNC(=O)C2(CCCO2)CNC(CNC(=O)C3(CCCO3)CN1)C(C)C
InChI
InChI=1S/C22H40N4O4/c1-15(2)17-11-23-19(27)22(8-6-10-30-22)14-26-18(16(3)4)12-24-20(28)21(13-25-17)7-5-9-29-21/h15-18,25-26H,5-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKey
PHTKKXCCNGFIIV-UHFFFAOYSA-N
Compound name
8,19-di(propan-2-yl)-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

424.30496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.31224 205.1
[M+Na]+ 447.29418 204.8
[M-H]- 423.29768 200.9
[M+NH4]+ 442.33878 208.9
[M+K]+ 463.26812 203.0
[M+H-H2O]+ 407.30222 201.2
[M+HCOO]- 469.30316 202.2
[M+CH3COO]- 483.31881 207.0
[M+Na-2H]- 445.27963 195.7
[M]+ 424.30441 188.7
[M]- 424.30551 188.7
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.