CID 72889

1,3-dibenzylurea

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey
KATOLVAXCGIBLO-UHFFFAOYSA-N
Compound name
1,3-dibenzylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

447
Patents

240.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 154.5
[M+Na]+ 263.115488 159.1
[M-H]- 239.118994 160.6
[M+NH4]+ 258.160093 170.9
[M+K]+ 279.089428 155.2
[M+H-H2O]+ 223.123530 146.3
[M+HCOO]- 285.124471 180.1
[M+CH3COO]- 299.140121 195.6
[M+Na-2H]- 261.100936 161.7
[M]+ 240.12572142 152.5
[M]- 240.12681858 152.5
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