CID 135434305

5,6-dihydroxy-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C24H18N4O5
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)NC3=CC=CC(=C3)C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C24H18N4O5/c29-20-19(23(31)32)27-21(28-22(20)30)15-9-6-10-16(13-15)25-24(33)26-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,29H,(H,31,32)(H2,25,26,33)(H,27,28,30)
InChIKey
GJPPMJBSXVQWLL-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12772 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13500 202.4
[M+Na]+ 465.11694 207.6
[M-H]- 441.12044 209.3
[M+NH4]+ 460.16154 204.9
[M+K]+ 481.09088 201.1
[M+H-H2O]+ 425.12498 190.4
[M+HCOO]- 487.12592 219.8
[M+CH3COO]- 501.14157 209.1
[M+Na-2H]- 463.10239 205.0
[M]+ 442.12717 199.3
[M]- 442.12827 199.3
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.