CID 597994

1,1,3-triphenylurea

Structural Information

Molecular Formula
C19H16N2O
SMILES
C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKey
HKQGDIKHDDGEOE-UHFFFAOYSA-N
Compound name
1,1,3-triphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

288.12625 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 166.8
[M+Na]+ 311.11547 170.9
[M-H]- 287.11897 177.1
[M+NH4]+ 306.16007 181.1
[M+K]+ 327.08941 166.9
[M+H-H2O]+ 271.12351 156.9
[M+HCOO]- 333.12445 192.6
[M+CH3COO]- 347.14010 178.0
[M+Na-2H]- 309.10092 173.6
[M]+ 288.12570 164.6
[M]- 288.12680 164.6
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