CID 3325252

1,1-dibenzyl-3-(3,5-xylyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe