CID 63859

Brn 4947488

Structural Information

Molecular Formula
C19H14Br2N4O2S
SMILES
CC1=CC=CC=C1N=C2N(C(=O)CS2)CN3C=NC4=C(C3=O)C=C(C=C4Br)Br
InChI
InChI=1S/C19H14Br2N4O2S/c1-11-4-2-3-5-15(11)23-19-25(16(26)8-28-19)10-24-9-22-17-13(18(24)27)6-12(20)7-14(17)21/h2-7,9H,8,10H2,1H3
InChIKey
ISJKODYJIJFUQP-UHFFFAOYSA-N
Compound name
3-[(6,8-dibromo-4-oxoquinazolin-3-yl)methyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.9204 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.92768 172.9
[M+Na]+ 542.90962 185.2
[M-H]- 518.91312 183.8
[M+NH4]+ 537.95422 185.4
[M+K]+ 558.88356 169.2
[M+H-H2O]+ 502.91766 180.1
[M+HCOO]- 564.91860 183.7
[M+CH3COO]- 578.93425 185.2
[M+Na-2H]- 540.89507 176.1
[M]+ 519.91985 209.7
[M]- 519.92095 209.7
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.