CID 3647853

1,1'-(4-methyl-1,3-phenylene)bis(3-benzylurea)

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NCC2=CC=CC=C2)NC(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C23H24N4O2/c1-17-12-13-20(26-22(28)24-15-18-8-4-2-5-9-18)14-21(17)27-23(29)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
XJWHXWLCSJCVPT-UHFFFAOYSA-N
Compound name
1-benzyl-3-[3-(benzylcarbamoylamino)-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.1899 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 192.8
[M+Na]+ 411.17912 195.0
[M-H]- 387.18262 201.7
[M+NH4]+ 406.22372 202.1
[M+K]+ 427.15306 190.1
[M+H-H2O]+ 371.18716 181.9
[M+HCOO]- 433.18810 218.2
[M+CH3COO]- 447.20375 229.4
[M+Na-2H]- 409.16457 196.9
[M]+ 388.18935 190.2
[M]- 388.19045 190.2
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