CID 112677210

1909306-59-7

Structural Information

Molecular Formula
C14H15FN2S
SMILES
CC1=C(N=C(S1)C2(CCC2)N)C3=CC=CC=C3F
InChI
InChI=1S/C14H15FN2S/c1-9-12(10-5-2-3-6-11(10)15)17-13(18-9)14(16)7-4-8-14/h2-3,5-6H,4,7-8,16H2,1H3
InChIKey
VZHBWIFWJBAXED-UHFFFAOYSA-N
Compound name
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10128 153.6
[M+Na]+ 285.08322 161.2
[M-H]- 261.08672 160.7
[M+NH4]+ 280.12782 166.5
[M+K]+ 301.05716 159.1
[M+H-H2O]+ 245.09126 140.4
[M+HCOO]- 307.09220 170.0
[M+CH3COO]- 321.10785 165.3
[M+Na-2H]- 283.06867 153.7
[M]+ 262.09345 160.9
[M]- 262.09455 160.9
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.