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]+ 323.19655 177.3
[M+Na]+ 345.17849 179.0
[M-H]- 321.18199 174.6
[M+NH4]+ 340.22309 183.8
[M+K]+ 361.15243 175.0
[M+H-H2O]+ 305.18653 171.9
[M+HCOO]- 367.18747 185.0
[M+CH3COO]- 381.20312 196.3
[M+Na-2H]- 343.16394 172.7
[M]+ 322.18872 162.4
[M]- 322.18982 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.