CID 90916

Einecs 245-617-8

Structural Information

Molecular Formula
C24H36N4O4
SMILES
CC1(CC(CC(C1)(C)CN2C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)N=C=O)C
InChI
InChI=1S/C24H36N4O4/c1-21(2)7-17(25-15-29)9-23(5,11-21)13-27-19(31)28(20(27)32)14-24(6)10-18(26-16-30)8-22(3,4)12-24/h17-18H,7-14H2,1-6H3
InChIKey
RVJCLQNZJHNSIT-UHFFFAOYSA-N
Compound name
1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

444.27365 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.28093 201.1
[M+Na]+ 467.26287 205.6
[M-H]- 443.26637 209.1
[M+NH4]+ 462.30747 209.9
[M+K]+ 483.23681 206.3
[M+H-H2O]+ 427.27091 189.5
[M+HCOO]- 489.27185 215.4
[M+CH3COO]- 503.28750 243.5
[M+Na-2H]- 465.24832 201.0
[M]+ 444.27310 209.8
[M]- 444.27420 209.8
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