CID 267527

Urea, 1,1'-(1,1,6,6-tetramethylhexamethylene)bis(3,3'-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C24H30Cl4N4O2
SMILES
CC(C)(CCCCC(C)(C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C24H30Cl4N4O2/c1-23(2,31-21(33)29-15-7-9-17(25)19(27)13-15)11-5-6-12-24(3,4)32-22(34)30-16-8-10-18(26)20(28)14-16/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,29,31,33)(H2,30,32,34)
InChIKey
JPBGDWABSKNNCO-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[7-[(3,4-dichlorophenyl)carbamoylamino]-2,7-dimethyloctan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.1123 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.11958 230.8
[M+Na]+ 569.10152 234.9
[M-H]- 545.10502 233.8
[M+NH4]+ 564.14612 237.1
[M+K]+ 585.07546 228.2
[M+H-H2O]+ 529.10956 225.1
[M+HCOO]- 591.11050 231.5
[M+CH3COO]- 605.12615 253.0
[M+Na-2H]- 567.08697 228.4
[M]+ 546.11175 235.0
[M]- 546.11285 235.0
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

No patent data available for this compound.