CID 206317

4(3h)-quinazolinethione, 6-fluoro-2-methyl-3-(4-methylphenyl)-

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]+ 285.085616 161.6
[M+Na]+ 307.067558 174.3
[M-H]- 283.071064 166.4
[M+NH4]+ 302.112163 177.3
[M+K]+ 323.041498 166.8
[M+H-H2O]+ 267.075600 152.5
[M+HCOO]- 329.076541 176.6
[M+CH3COO]- 343.092191 173.8
[M+Na-2H]- 305.053006 164.7
[M]+ 284.07779142 163.7
[M]- 284.07888858 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.