CID 71271629

Pfi-1

Structural Information

Molecular Formula
C16H17N3O4S
SMILES
CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O
InChI
InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKey
TXZPMHLMPKIUGK-UHFFFAOYSA-N
Compound name
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

597
Patents

347.09396 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.101236 177.9
[M+Na]+ 370.083178 185.9
[M-H]- 346.086684 181.5
[M+NH4]+ 365.127783 188.8
[M+K]+ 386.057118 180.3
[M+H-H2O]+ 330.091220 169.6
[M+HCOO]- 392.092161 190.0
[M+CH3COO]- 406.107811 209.6
[M+Na-2H]- 368.068626 182.5
[M]+ 347.09341142 179.0
[M]- 347.09450858 179.0
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.