CID 373445

Nsc649803

Structural Information

Molecular Formula
C17H26N2O4
SMILES
C1CCCCCC(=O)C(CCCC1)CC2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C17H26N2O4/c20-14-10-8-6-4-2-1-3-5-7-9-12(14)11-13-15(21)18-17(23)19-16(13)22/h12-13H,1-11H2,(H2,18,19,21,22,23)
InChIKey
BBNZOYBBTKTRQU-UHFFFAOYSA-N
Compound name
5-[(2-oxocyclododecyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 177.3
[M+Na]+ 345.178488 179.0
[M-H]- 321.181994 174.6
[M+NH4]+ 340.223093 183.8
[M+K]+ 361.152428 175.0
[M+H-H2O]+ 305.186530 171.9
[M+HCOO]- 367.187471 185.0
[M+CH3COO]- 381.203121 196.3
[M+Na-2H]- 343.163936 172.7
[M]+ 322.18872142 162.4
[M]- 322.18981858 162.4
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.