CID 63551

Brn 4947568

Structural Information

Molecular Formula
C19H14Br2N4O3S
SMILES
COC1=CC=C(C=C1)N=C2N(C(=O)CS2)CN3C=NC4=C(C3=O)C=C(C=C4Br)Br
InChI
InChI=1S/C19H14Br2N4O3S/c1-28-13-4-2-12(3-5-13)23-19-25(16(26)8-29-19)10-24-9-22-17-14(18(24)27)6-11(20)7-15(17)21/h2-7,9H,8,10H2,1H3
InChIKey
YYHGFKVMAXLJKO-UHFFFAOYSA-N
Compound name
3-[(6,8-dibromo-4-oxoquinazolin-3-yl)methyl]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.91534 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.92262 181.5
[M+Na]+ 558.90456 177.4
[M+NH4]+ 553.94916 182.3
[M+K]+ 574.87850 183.0
[M-H]- 534.90806 183.6
[M+Na-2H]- 556.89001 183.0
[M]+ 535.91479 180.7
[M]- 535.91589 180.7
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.