CID 90132

1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione

Structural Information

Molecular Formula
C16H24N4O4
SMILES
C(CCCN1C(=O)N(C1=O)CCCCCCN=C=O)CCN=C=O
InChI
InChI=1S/C16H24N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h1-12H2
InChIKey
ZIZJPRKHEXCVLL-UHFFFAOYSA-N
Compound name
1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3032
Patents

336.17975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18703 179.7
[M+Na]+ 359.16897 183.3
[M-H]- 335.17247 181.7
[M+NH4]+ 354.21357 185.0
[M+K]+ 375.14291 183.9
[M+H-H2O]+ 319.17701 164.4
[M+HCOO]- 381.17795 202.3
[M+CH3COO]- 395.19360 223.1
[M+Na-2H]- 357.15442 180.6
[M]+ 336.17920 195.4
[M]- 336.18030 195.4
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