CID 311086

1,1-dibenzyl-3-(2,5-xylyl)urea

Structural Information

Molecular Formula
C23H24N2O
SMILES
CC1=CC(=C(C=C1)C)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O/c1-18-13-14-19(2)22(15-18)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
FAWLTDQJGLLZAO-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2,5-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

344.18887 Da
Monoisotopic Mass

4.5
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

literature stripe

Patent stripe

patents stripe