CID 390432

Nsc687786

Structural Information

Molecular Formula
C33H26N4O7S3
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N1NS(=O)(=O)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H26N4O7S3/c1-23-34-32-21-20-30(47(43,44)36-46(41,42)29-18-14-27(15-19-29)25-10-6-3-7-11-25)22-31(32)33(38)37(23)35-45(39,40)28-16-12-26(13-17-28)24-8-4-2-5-9-24/h2-22,35-36H,1H3
InChIKey
CAONZYFPXZOWDB-UHFFFAOYSA-N
Compound name
2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

686.0964 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.10368 253.8
[M+Na]+ 709.08562 259.0
[M-H]- 685.08912 263.7
[M+NH4]+ 704.13022 249.3
[M+K]+ 725.05956 250.6
[M+H-H2O]+ 669.09366 242.2
[M+HCOO]- 731.09460 257.0
[M+CH3COO]- 745.11025 256.1
[M+Na-2H]- 707.07107 265.8
[M]+ 686.09585 255.8
[M]- 686.09695 255.8
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.