CID 3087300

113849-26-6

Structural Information

Molecular Formula
C23H18Br2N4O4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C
InChI
InChI=1S/C23H18Br2N4O4S/c1-13-10-17(34(32,33)28-23(31)27-16-6-4-3-5-7-16)8-9-20(13)29-14(2)26-21-18(22(29)30)11-15(24)12-19(21)25/h3-12H,1-2H3,(H2,27,28,31)
InChIKey
CEFCTSAVQNEPDB-UHFFFAOYSA-N
Compound name
1-[4-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)-3-methylphenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.9415 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.94878 185.4
[M+Na]+ 626.93072 181.7
[M+NH4]+ 621.97532 185.6
[M+K]+ 642.90466 187.1
[M-H]- 602.93422 187.9
[M+Na-2H]- 624.91617 188.3
[M]+ 603.94095 184.8
[M]- 603.94205 184.8
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.