CID 170876

Einecs 256-676-4

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

71
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 185.4
[M+Na]+ 403.15882 193.5
[M-H]- 379.16232 189.4
[M+NH4]+ 398.20342 194.3
[M+K]+ 419.13276 191.0
[M+H-H2O]+ 363.16686 175.0
[M+HCOO]- 425.16780 211.2
[M+CH3COO]- 439.18345 226.8
[M+Na-2H]- 401.14427 189.5
[M]+ 380.16905 197.0
[M]- 380.17015 197.0
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