CID 3008082

3-(p-tolyl)-1h-quinazoline-2,4-dithione

Structural Information

Molecular Formula
C15H12N2S2
SMILES
CC1=CC=C(C=C1)N2C(=S)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C15H12N2S2/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19/h2-9H,1H3,(H,16,19)
InChIKey
DPBXACKWDKAYHF-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1H-quinazoline-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.0442 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05148 157.6
[M+Na]+ 307.03342 169.9
[M-H]- 283.03692 161.8
[M+NH4]+ 302.07802 172.7
[M+K]+ 323.00736 160.3
[M+H-H2O]+ 267.04146 150.7
[M+HCOO]- 329.04240 167.4
[M+CH3COO]- 343.05805 169.1
[M+Na-2H]- 305.01887 160.5
[M]+ 284.04365 158.5
[M]- 284.04475 158.5
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.