CID 46966788

1214468-35-5

Structural Information

Molecular Formula
C19H14N4O5S
SMILES
C1=CC(=CN=C1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O
InChI
InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
InChIKey
CNILPKOOBRBNEQ-UHFFFAOYSA-N
Compound name
2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

410.06848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.07576 192.1
[M+Na]+ 433.05770 201.3
[M-H]- 409.06120 196.8
[M+NH4]+ 428.10230 197.5
[M+K]+ 449.03164 193.4
[M+H-H2O]+ 393.06574 181.9
[M+HCOO]- 455.06668 204.6
[M+CH3COO]- 469.08233 200.2
[M+Na-2H]- 431.04315 199.6
[M]+ 410.06793 193.3
[M]- 410.06903 193.3
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

patents stripe