CID 307734

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

Structural Information

Molecular Formula
C23H24N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O/c1-18-10-9-11-19(2)22(18)24-23(26)25(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKey
AGROKRUZEPCBGO-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

344.18887 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.196146 185.7
[M+Na]+ 367.178088 189.9
[M-H]- 343.181594 196.0
[M+NH4]+ 362.222693 198.3
[M+K]+ 383.152028 185.2
[M+H-H2O]+ 327.186130 175.2
[M+HCOO]- 389.187071 210.1
[M+CH3COO]- 403.202721 221.1
[M+Na-2H]- 365.163536 188.7
[M]+ 344.18832142 185.6
[M]- 344.18941858 185.6
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