CID 3576105

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

Structural Information

Molecular Formula
C23H32N4O2
SMILES
CCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCC
InChI
InChI=1S/C23H32N4O2/c1-3-5-15-24-22(28)26-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)27-23(29)25-16-6-4-2/h7-14H,3-6,15-17H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
YJKHKWZTQFMCKD-UHFFFAOYSA-N
Compound name
1-butyl-3-[4-[[4-(butylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

396.25253 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25981 199.6
[M+Na]+ 419.24175 200.6
[M-H]- 395.24525 204.9
[M+NH4]+ 414.28635 209.2
[M+K]+ 435.21569 196.2
[M+H-H2O]+ 379.24979 189.2
[M+HCOO]- 441.25073 223.8
[M+CH3COO]- 455.26638 233.3
[M+Na-2H]- 417.22720 200.9
[M]+ 396.25198 199.6
[M]- 396.25308 199.6
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