CID 15958464

823195-65-9

Structural Information

Molecular Formula
C15H10BrClN2S
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(=S)N1C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H10BrClN2S/c1-9-18-14-7-4-11(17)8-13(14)15(20)19(9)12-5-2-10(16)3-6-12/h2-8H,1H3
InChIKey
MTIAOLNWMIJIQY-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-6-chloro-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.94366 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95094 160.0
[M+Na]+ 386.93288 176.5
[M-H]- 362.93638 168.7
[M+NH4]+ 381.97748 177.5
[M+K]+ 402.90682 161.1
[M+H-H2O]+ 346.94092 159.9
[M+HCOO]- 408.94186 170.2
[M+CH3COO]- 422.95751 174.6
[M+Na-2H]- 384.91833 165.9
[M]+ 363.94311 183.3
[M]- 363.94421 183.3
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.