CID 199551

4394-22-3

Structural Information

Molecular Formula
C17H26N2O5
SMILES
CCCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
InChI
InChI=1S/C17H26N2O5/c1-3-4-5-6-14-15(21)18-17(23)19(16(14)22)12-7-9-13(10-8-12)24-11(2)20/h12-14H,3-10H2,1-2H3,(H,18,21,23)
InChIKey
TVOSRCWHNOKHEY-UHFFFAOYSA-N
Compound name
[4-(2,4,6-trioxo-5-pentyl-1,3-diazinan-1-yl)cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.18417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19145 180.7
[M+Na]+ 361.17339 184.5
[M-H]- 337.17689 181.9
[M+NH4]+ 356.21799 190.7
[M+K]+ 377.14733 181.2
[M+H-H2O]+ 321.18143 172.1
[M+HCOO]- 383.18237 191.9
[M+CH3COO]- 397.19802 210.0
[M+Na-2H]- 359.15884 176.6
[M]+ 338.18362 177.2
[M]- 338.18472 177.2
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.