CID 3008081

676154-37-3

Structural Information

Molecular Formula
C14H9BrN2S2
SMILES
C1=CC=C2C(=C1)C(=S)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H9BrN2S2/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey
FCGNICFSHPSZJU-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1H-quinazoline-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.93906 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94634 146.6
[M+Na]+ 370.92828 162.3
[M-H]- 346.93178 153.7
[M+NH4]+ 365.97288 163.4
[M+K]+ 386.90222 145.8
[M+H-H2O]+ 330.93632 147.4
[M+HCOO]- 392.93726 155.7
[M+CH3COO]- 406.95291 160.7
[M+Na-2H]- 368.91373 153.0
[M]+ 347.93851 165.9
[M]- 347.93961 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.