CID 139035039

Arn19874

Structural Information

Molecular Formula
C19H14N4O4S
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O
InChI
InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)
InChIKey
OPBGIIQHYNFABO-UHFFFAOYSA-N
Compound name
2,4-dioxo-N-(4-pyridin-4-ylphenyl)-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

394.07358 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.080856 189.7
[M+Na]+ 417.062798 199.4
[M-H]- 393.066304 194.5
[M+NH4]+ 412.107403 196.0
[M+K]+ 433.036738 190.6
[M+H-H2O]+ 377.070840 179.7
[M+HCOO]- 439.071781 202.1
[M+CH3COO]- 453.087431 198.0
[M+Na-2H]- 415.048246 196.9
[M]+ 394.07303142 189.7
[M]- 394.07412858 189.7
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

No patent data available for this compound.