CID 3595656

1,1-dibenzyl-3-(2-methoxyphenyl)urea

Structural Information

Molecular Formula
C22H22N2O2
SMILES
COC1=CC=CC=C1NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O2/c1-26-21-15-9-8-14-20(21)23-22(25)24(16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,23,25)
InChIKey
JYPVEPSDXKIORG-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 184.0
[M+Na]+ 369.15734 187.5
[M-H]- 345.16084 194.1
[M+NH4]+ 364.20194 196.0
[M+K]+ 385.13128 183.6
[M+H-H2O]+ 329.16538 173.3
[M+HCOO]- 391.16632 208.9
[M+CH3COO]- 405.18197 219.0
[M+Na-2H]- 367.14279 188.4
[M]+ 346.16757 184.5
[M]- 346.16867 184.5
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