CID 95244

1,3-diphenethylurea

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1=CC=C(C=C1)CCNC(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)
InChIKey
VMQLWVGHPWFHEI-UHFFFAOYSA-N
Compound name
1,3-bis(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

122
Patents

268.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 166.2
[M+Na]+ 291.14678 178.2
[M+NH4]+ 286.19138 174.3
[M+K]+ 307.12072 169.7
[M-H]- 267.15028 171.7
[M+Na-2H]- 289.13223 175.5
[M]+ 268.15701 169.3
[M]- 268.15811 169.3
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