CID 390419

Nsc687773

Structural Information

Molecular Formula
C21H17ClN4O6S2
SMILES
COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H17ClN4O6S2/c1-32-20-5-3-2-4-19(20)24-33(28,29)16-10-11-18-17(12-16)21(27)26(13-23-18)25-34(30,31)15-8-6-14(22)7-9-15/h2-13,24-25H,1H3
InChIKey
IJSFZGGBGILMRR-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)-4-oxoquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

520.02783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.03511 214.6
[M+Na]+ 543.01705 223.5
[M-H]- 519.02055 222.4
[M+NH4]+ 538.06165 219.2
[M+K]+ 558.99099 216.3
[M+H-H2O]+ 503.02509 205.6
[M+HCOO]- 565.02603 220.9
[M+CH3COO]- 579.04168 239.5
[M+Na-2H]- 541.00250 223.2
[M]+ 520.02728 222.3
[M]- 520.02838 222.3
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.