CID 915084

3-(4-chlorophenyl)-1h-quinazoline-2,4-dithione

Structural Information

Molecular Formula
C14H9ClN2S2
SMILES
C1=CC=C2C(=C1)C(=S)N(C(=S)N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2S2/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
YTXMAOXCRGGVGH-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1H-quinazoline-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.98956 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99684 158.6
[M+Na]+ 326.97878 171.7
[M-H]- 302.98228 162.9
[M+NH4]+ 322.02338 173.7
[M+K]+ 342.95272 161.4
[M+H-H2O]+ 286.98682 152.7
[M+HCOO]- 348.98776 164.2
[M+CH3COO]- 363.00341 170.1
[M+Na-2H]- 324.96423 161.6
[M]+ 303.98901 161.1
[M]- 303.99011 161.1
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.