CID 311061

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

Structural Information

Molecular Formula
C23H24N2O3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O3/c1-27-20-13-14-22(28-2)21(15-20)24-23(26)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKey
IYXIKYXLEDBNMC-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2,5-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

376.17868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 191.9
[M+Na]+ 399.16790 195.6
[M-H]- 375.17140 202.2
[M+NH4]+ 394.21250 202.9
[M+K]+ 415.14184 192.4
[M+H-H2O]+ 359.17594 180.8
[M+HCOO]- 421.17688 216.6
[M+CH3COO]- 435.19253 225.3
[M+Na-2H]- 397.15335 195.1
[M]+ 376.17813 194.5
[M]- 376.17923 194.5
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