CID 307095

1-benzyl-1-ethyl-3-phenylurea

Structural Information

Molecular Formula
C16H18N2O
SMILES
CCN(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c1-2-18(13-14-9-5-3-6-10-14)16(19)17-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
InChIKey
SBNLPMZMXJQOMF-UHFFFAOYSA-N
Compound name
1-benzyl-1-ethyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.9
[M+Na]+ 277.131118 164.1
[M-H]- 253.134624 167.3
[M+NH4]+ 272.175723 176.3
[M+K]+ 293.105058 161.5
[M+H-H2O]+ 237.139160 151.3
[M+HCOO]- 299.140101 185.6
[M+CH3COO]- 313.155751 202.0
[M+Na-2H]- 275.116566 165.7
[M]+ 254.14135142 159.4
[M]- 254.14244858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe