CID 4574095

4,4'-methylenebis(1,1-dibutyl-3-phenylurea)

Structural Information

Molecular Formula
C31H48N4O2
SMILES
CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N(CCCC)CCCC
InChI
InChI=1S/C31H48N4O2/c1-5-9-21-34(22-10-6-2)30(36)32-28-17-13-26(14-18-28)25-27-15-19-29(20-16-27)33-31(37)35(23-11-7-3)24-12-8-4/h13-20H,5-12,21-25H2,1-4H3,(H,32,36)(H,33,37)
InChIKey
FJBJCMMXPKMYHT-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-[4-[[4-(dibutylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.37772 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.38500 236.9
[M+Na]+ 531.36694 243.6
[M+NH4]+ 526.41154 240.9
[M+K]+ 547.34088 235.3
[M-H]- 507.37044 241.9
[M+Na-2H]- 529.35239 240.9
[M]+ 508.37717 238.8
[M]- 508.37827 238.8
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

No patent data available for this compound.