CID 989462

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

Structural Information

Molecular Formula
C25H32N4O2
SMILES
C1CCN(CC1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)N4CCCCC4
InChI
InChI=1S/C25H32N4O2/c30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29/h7-14H,1-6,15-19H2,(H,26,30)(H,27,31)
InChIKey
HITOEWKHQSLMQS-UHFFFAOYSA-N
Compound name
N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

420.25253 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25981 202.2
[M+Na]+ 443.24175 200.2
[M-H]- 419.24525 209.0
[M+NH4]+ 438.28635 206.9
[M+K]+ 459.21569 194.6
[M+H-H2O]+ 403.24979 188.9
[M+HCOO]- 465.25073 214.7
[M+CH3COO]- 479.26638 206.8
[M+Na-2H]- 441.22720 201.2
[M]+ 420.25198 191.4
[M]- 420.25308 191.4
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

patents stripe