CID 311254

3-(2-chloro-6-methylphenyl)-1,1-dibenzylurea

Structural Information

Molecular Formula
C22H21ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H21ClN2O/c1-17-9-8-14-20(23)21(17)24-22(26)25(15-18-10-4-2-5-11-18)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey
YQBYSMFEBKLIFW-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-(2-chloro-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

364.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14153 188.7
[M+Na]+ 387.12347 194.2
[M-H]- 363.12697 198.9
[M+NH4]+ 382.16807 201.4
[M+K]+ 403.09741 187.9
[M+H-H2O]+ 347.13151 179.0
[M+HCOO]- 409.13245 208.9
[M+CH3COO]- 423.14810 221.6
[M+Na-2H]- 385.10892 191.7
[M]+ 364.13370 190.9
[M]- 364.13480 190.9
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