CID 222572

1,1,3,3-tetraphenylurea

Structural Information

Molecular Formula
C25H20N2O
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O/c28-25(26(21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
ZVWHURINXJWEER-UHFFFAOYSA-N
Compound name
1,1,3,3-tetraphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

508
Patents

364.15756 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16484 188.5
[M+Na]+ 387.14678 191.0
[M-H]- 363.15028 202.1
[M+NH4]+ 382.19138 199.2
[M+K]+ 403.12072 186.6
[M+H-H2O]+ 347.15482 176.4
[M+HCOO]- 409.15576 213.4
[M+CH3COO]- 423.17141 198.0
[M+Na-2H]- 385.13223 193.6
[M]+ 364.15701 186.5
[M]- 364.15811 186.5
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

No patent data available for this compound.