CID 390421

Nsc687775

Structural Information

Molecular Formula
C20H14BrClN4O5S2
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C20H14BrClN4O5S2/c21-13-5-7-14(8-6-13)33(30,31)25-26-12-23-18-10-9-15(11-16(18)20(26)27)32(28,29)24-19-4-2-1-3-17(19)22/h1-12,24-25H
InChIKey
LVSJSJYHUBENIM-UHFFFAOYSA-N
Compound name
3-[(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)-4-oxoquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.92773 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.93501 195.5
[M+Na]+ 590.91695 207.8
[M-H]- 566.92045 205.6
[M+NH4]+ 585.96155 202.9
[M+K]+ 606.89089 192.9
[M+H-H2O]+ 550.92499 193.8
[M+HCOO]- 612.92593 200.8
[M+CH3COO]- 626.94158 240.4
[M+Na-2H]- 588.90240 206.5
[M]+ 567.92718 219.4
[M]- 567.92828 219.4
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.