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 237.4
[M+Na]+ 531.36694 235.1
[M-H]- 507.37044 243.9
[M+NH4]+ 526.41154 243.5
[M+K]+ 547.34088 231.8
[M+H-H2O]+ 491.37498 225.2
[M+HCOO]- 553.37592 259.6
[M+CH3COO]- 567.39157 262.8
[M+Na-2H]- 529.35239 232.9
[M]+ 508.37717 242.5
[M]- 508.37827 242.5
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.