CID 15323520

1-benzyl-3-[(4-methoxyphenyl)methyl]urea

Structural Information

Molecular Formula
C16H18N2O2
SMILES
COC1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-20-15-9-7-14(8-10-15)12-18-16(19)17-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKey
ZTKPCNPGXYPVPM-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(4-methoxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 162.5
[M+Na]+ 293.126058 167.4
[M-H]- 269.129564 168.8
[M+NH4]+ 288.170663 177.8
[M+K]+ 309.099998 164.0
[M+H-H2O]+ 253.134100 153.9
[M+HCOO]- 315.135041 187.9
[M+CH3COO]- 329.150691 201.9
[M+Na-2H]- 291.111506 168.3
[M]+ 270.13629142 162.5
[M]- 270.13738858 162.5
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