CID 168297836

Chembl5206430

Structural Information

Molecular Formula
C11H11F2N3S
SMILES
CCSC1=NC2=C(C=CC(=C2F)F)C(=N1)NC
InChI
InChI=1S/C11H11F2N3S/c1-3-17-11-15-9-6(10(14-2)16-11)4-5-7(12)8(9)13/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKey
UZBZASOQGIKKEA-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-7,8-difluoro-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

255.06418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07146 150.6
[M+Na]+ 278.05340 161.8
[M-H]- 254.05690 150.6
[M+NH4]+ 273.09800 167.2
[M+K]+ 294.02734 156.2
[M+H-H2O]+ 238.06144 141.5
[M+HCOO]- 300.06238 165.4
[M+CH3COO]- 314.07803 198.7
[M+Na-2H]- 276.03885 154.4
[M]+ 255.06363 152.0
[M]- 255.06473 152.0
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.