CID 170876

50639-37-7

Structural Information

Molecular Formula
C17H24N4O6
SMILES
C(CCCN1C(=O)N(C(=O)OC1=O)CCCCCCN=C=O)CCN=C=O
InChI
InChI=1S/C17H24N4O6/c22-13-18-9-5-1-3-7-11-20-15(24)21(17(26)27-16(20)25)12-8-4-2-6-10-19-14-23/h1-12H2
InChIKey
CWYAQUMZIHGIEF-UHFFFAOYSA-N
Compound name
3,5-bis(6-isocyanatohexyl)-1,3,5-oxadiazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

380.1696 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17688 188.0
[M+Na]+ 403.15882 197.4
[M+NH4]+ 398.20342 189.1
[M+K]+ 419.13276 192.0
[M-H]- 379.16232 187.5
[M+Na-2H]- 401.14427 189.2
[M]+ 380.16905 188.4
[M]- 380.17015 188.4
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

patents stripe