CID 364449

Azacridoxazole

Structural Information

Molecular Formula
C23H17N5O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O
InChI
InChI=1S/C23H17N5O5S/c1-14-13-20(26-33-14)27-34(31,32)16-10-8-15(9-11-16)24-22(29)18-6-4-12-28-21(18)25-19-7-3-2-5-17(19)23(28)30/h2-13H,1H3,(H,24,29)(H,26,27)
InChIKey
PNMUUBGBJAWRAS-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.09503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.10231 209.5
[M+Na]+ 498.08425 219.8
[M-H]- 474.08775 219.5
[M+NH4]+ 493.12885 215.2
[M+K]+ 514.05819 214.8
[M+H-H2O]+ 458.09229 199.7
[M+HCOO]- 520.09323 224.9
[M+CH3COO]- 534.10888 218.5
[M+Na-2H]- 496.06970 216.6
[M]+ 475.09448 216.6
[M]- 475.09558 216.6
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.