CID 4167053

1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O2/c1-18-13-14-22(27-2)21(15-18)24-23(26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKey
QENSTJKJSDMWLV-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2-methoxy-5-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

360.18378 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 188.9
[M+Na]+ 383.17300 192.9
[M-H]- 359.17650 199.2
[M+NH4]+ 378.21760 200.7
[M+K]+ 399.14694 188.9
[M+H-H2O]+ 343.18104 178.2
[M+HCOO]- 405.18198 213.5
[M+CH3COO]- 419.19763 223.2
[M+Na-2H]- 381.15845 192.0
[M]+ 360.18323 190.2
[M]- 360.18433 190.2
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