CID 387457

Nsc681263

Structural Information

Molecular Formula
C23H16N4O5
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=C(C=C4)[N+](=O)[O-])O
InChI
InChI=1S/C23H16N4O5/c28-21-20(15-24-16-11-13-19(14-12-16)27(31)32)22(29)26(18-9-5-2-6-10-18)23(30)25(21)17-7-3-1-4-8-17/h1-15,28H
InChIKey
XPHISYZMDNJZMY-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(4-nitrophenyl)iminomethyl]-1,3-diphenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.11206 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.11934 201.2
[M+Na]+ 451.10128 207.9
[M-H]- 427.10478 211.9
[M+NH4]+ 446.14588 205.7
[M+K]+ 467.07522 197.4
[M+H-H2O]+ 411.10932 191.9
[M+HCOO]- 473.11026 224.2
[M+CH3COO]- 487.12591 223.5
[M+Na-2H]- 449.08673 207.4
[M]+ 428.11151 200.4
[M]- 428.11261 200.4
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.