CID 3056352

Biuret, 3,3-methylenebis(p-phenylene)bis(1,1,5,5-tetramethyl-

Structural Information

Molecular Formula
C25H34N6O4
SMILES
CN(C)C(=O)N(C)C(=O)N(C)C1=CC=CC(=C1)CC2=CC(=CC=C2)N(C)C(=O)N(C)C(=O)N(C)C
InChI
InChI=1S/C25H34N6O4/c1-26(2)22(32)30(7)24(34)28(5)20-13-9-11-18(16-20)15-19-12-10-14-21(17-19)29(6)25(35)31(8)23(33)27(3)4/h9-14,16-17H,15H2,1-8H3
InChIKey
VUPKIWHDDXVEGO-UHFFFAOYSA-N
Compound name
1-(dimethylcarbamoyl)-3-[3-[[3-[[dimethylcarbamoyl(methyl)carbamoyl]-methylamino]phenyl]methyl]phenyl]-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.26416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.27144 215.1
[M+Na]+ 505.25338 219.6
[M+NH4]+ 500.29798 218.0
[M+K]+ 521.22732 218.5
[M-H]- 481.25688 220.0
[M+Na-2H]- 503.23883 219.7
[M]+ 482.26361 216.4
[M]- 482.26471 216.4
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

No patent data available for this compound.