CID 387472

Nsc681276

Structural Information

Molecular Formula
C23H16ClN3O3
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=CC=C4Cl)O
InChI
InChI=1S/C23H16ClN3O3/c24-19-13-7-8-14-20(19)25-15-18-21(28)26(16-9-3-1-4-10-16)23(30)27(22(18)29)17-11-5-2-6-12-17/h1-15,28H
InChIKey
URUHCOGMJIOZFO-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.088 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09528 199.8
[M+Na]+ 440.07722 210.5
[M-H]- 416.08072 210.4
[M+NH4]+ 435.12182 207.3
[M+K]+ 456.05116 201.9
[M+H-H2O]+ 400.08526 187.3
[M+HCOO]- 462.08620 217.8
[M+CH3COO]- 476.10185 209.6
[M+Na-2H]- 438.06267 203.2
[M]+ 417.08745 203.3
[M]- 417.08855 203.3
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.