CID 3008083

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

Structural Information

Molecular Formula
C14H8Cl2N2S2
SMILES
C1=CC=C2C(=C1)C(=S)N(C(=S)N2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2S2/c15-10-6-5-8(7-11(10)16)18-13(19)9-3-1-2-4-12(9)17-14(18)20/h1-7H,(H,17,20)
InChIKey
MJUNFRPKHWXFKT-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1H-quinazoline-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.9506 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.95788 163.4
[M+Na]+ 360.93982 177.1
[M-H]- 336.94332 167.4
[M+NH4]+ 355.98442 177.8
[M+K]+ 376.91376 166.5
[M+H-H2O]+ 320.94786 158.3
[M+HCOO]- 382.94880 164.0
[M+CH3COO]- 396.96445 174.3
[M+Na-2H]- 358.92527 165.1
[M]+ 337.95005 167.2
[M]- 337.95115 167.2
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.