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

499
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

literature stripe

Patent stripe

patents stripe