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

3
Patents

344.18887 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19615 185.7
[M+Na]+ 367.17809 189.9
[M-H]- 343.18159 196.0
[M+NH4]+ 362.22269 198.3
[M+K]+ 383.15203 185.2
[M+H-H2O]+ 327.18613 175.2
[M+HCOO]- 389.18707 210.1
[M+CH3COO]- 403.20272 221.1
[M+Na-2H]- 365.16354 188.7
[M]+ 344.18832 185.6
[M]- 344.18942 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