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]+ 395.08086 189.7
[M+Na]+ 417.06280 199.4
[M-H]- 393.06630 194.5
[M+NH4]+ 412.10740 196.0
[M+K]+ 433.03674 190.6
[M+H-H2O]+ 377.07084 179.7
[M+HCOO]- 439.07178 202.1
[M+CH3COO]- 453.08743 198.0
[M+Na-2H]- 415.04825 196.9
[M]+ 394.07303 189.7
[M]- 394.07413 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.