CID 3087298

113849-24-4

Structural Information

Molecular Formula
C22H16Br2N4O4S
SMILES
CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H16Br2N4O4S/c1-13-25-20-18(11-14(23)12-19(20)24)21(29)28(13)16-7-9-17(10-8-16)33(31,32)27-22(30)26-15-5-3-2-4-6-15/h2-12H,1H3,(H2,26,27,30)
InChIKey
VJYMLIGOUYFXEP-UHFFFAOYSA-N
Compound name
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.9259 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.93318 182.0
[M+Na]+ 612.91512 178.2
[M+NH4]+ 607.95972 182.2
[M+K]+ 628.88906 183.7
[M-H]- 588.91862 184.4
[M+Na-2H]- 610.90057 185.2
[M]+ 589.92535 181.4
[M]- 589.92645 181.4
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.