CID 3362690

1,1-dibenzyl-3-(2,6-diethylphenyl)urea

Structural Information

Molecular Formula
C25H28N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C25H28N2O/c1-3-22-16-11-17-23(4-2)24(22)26-25(28)27(18-20-12-7-5-8-13-20)19-21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3,(H,26,28)
InChIKey
FFZSSNUSZPLNPW-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2,6-diethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

372.22015 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22743 194.7
[M+Na]+ 395.20937 198.0
[M-H]- 371.21287 204.6
[M+NH4]+ 390.25397 206.1
[M+K]+ 411.18331 192.8
[M+H-H2O]+ 355.21741 183.8
[M+HCOO]- 417.21835 218.4
[M+CH3COO]- 431.23400 226.9
[M+Na-2H]- 393.19482 196.7
[M]+ 372.21960 195.3
[M]- 372.22070 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe