CID 214700

Brn 0702584

Structural Information

Molecular Formula
C16H26N2O5
SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(C)OC(=O)CCC
InChI
InChI=1S/C16H26N2O5/c1-5-7-10(3)16(9-11(4)23-12(19)8-6-2)13(20)17-15(22)18-14(16)21/h10-11H,5-9H2,1-4H3,(H2,17,18,20,21,22)
InChIKey
OHVQIMOCFGIEID-UHFFFAOYSA-N
Compound name
1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19145 175.8
[M+Na]+ 349.17339 180.1
[M-H]- 325.17689 172.9
[M+NH4]+ 344.21799 187.8
[M+K]+ 365.14733 177.7
[M+H-H2O]+ 309.18143 169.7
[M+HCOO]- 371.18237 186.9
[M+CH3COO]- 385.19802 206.2
[M+Na-2H]- 347.15884 172.9
[M]+ 326.18362 175.4
[M]- 326.18472 175.4
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.