CID 308435

Nsc209959

Structural Information

Molecular Formula
C20H13ClN2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)C(=O)O3
InChI
InChI=1S/C20H13ClN2O4S/c21-13-10-11-16-18(12-13)22-19(27-20(16)24)15-8-4-5-9-17(15)23-28(25,26)14-6-2-1-3-7-14/h1-12,23H
InChIKey
UNQGQRHRGOTFDJ-UHFFFAOYSA-N
Compound name
N-[2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.02844 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03572 192.7
[M+Na]+ 435.01766 203.7
[M-H]- 411.02116 203.5
[M+NH4]+ 430.06226 202.3
[M+K]+ 450.99160 197.7
[M+H-H2O]+ 395.02570 183.6
[M+HCOO]- 457.02664 205.1
[M+CH3COO]- 471.04229 203.4
[M+Na-2H]- 433.00311 199.8
[M]+ 412.02789 199.4
[M]- 412.02899 199.4
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.