CID 206317

Brn 0801192

Structural Information

Molecular Formula
C16H13FN2S
SMILES
CC1=CC=C(C=C1)N2C(=NC3=C(C2=S)C=C(C=C3)F)C
InChI
InChI=1S/C16H13FN2S/c1-10-3-6-13(7-4-10)19-11(2)18-15-8-5-12(17)9-14(15)16(19)20/h3-9H,1-2H3
InChIKey
FQMJDSYOJXXPOA-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3-(4-methylphenyl)quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08562 161.6
[M+Na]+ 307.06756 174.3
[M-H]- 283.07106 166.4
[M+NH4]+ 302.11216 177.3
[M+K]+ 323.04150 166.8
[M+H-H2O]+ 267.07560 152.5
[M+HCOO]- 329.07654 176.6
[M+CH3COO]- 343.09219 173.8
[M+Na-2H]- 305.05301 164.7
[M]+ 284.07779 163.7
[M]- 284.07889 163.7
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.