CID 15180716

113659-04-4

Structural Information

Molecular Formula
C40H48N4O4
SMILES
CC1(CC(CC(C1)(C)CNC(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)ON(CC4=CC=CC=C4)CC5=CC=CC=C5)C
InChI
InChI=1S/C40H48N4O4/c1-39(2)24-36(42-38(46)48-44(28-34-20-12-6-13-21-34)29-35-22-14-7-15-23-35)25-40(3,30-39)31-41-37(45)47-43(26-32-16-8-4-9-17-32)27-33-18-10-5-11-19-33/h4-23,36H,24-31H2,1-3H3,(H,41,45)(H,42,46)
InChIKey
WEUNZGSETDWKHM-UHFFFAOYSA-N
Compound name
(dibenzylamino) N-[3-[[(dibenzylamino)oxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

648.36755 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.37483 261.2
[M+Na]+ 671.35677 270.9
[M+NH4]+ 666.40137 268.4
[M+K]+ 687.33071 258.1
[M-H]- 647.36027 272.3
[M+Na-2H]- 669.34222 274.4
[M]+ 648.36700 265.8
[M]- 648.36810 265.8
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