CID 16227910

929973-84-2

Structural Information

Molecular Formula
C15H15F3N2OS
SMILES
C1CC(OC1)CNC2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H15F3N2OS/c16-15(17,18)11-4-1-3-10(7-11)13-9-22-14(20-13)19-8-12-5-2-6-21-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,19,20)
InChIKey
LSWOPIZXCNERED-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08572 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09300 169.5
[M+Na]+ 351.07494 177.3
[M-H]- 327.07844 175.2
[M+NH4]+ 346.11954 184.8
[M+K]+ 367.04888 173.5
[M+H-H2O]+ 311.08298 160.3
[M+HCOO]- 373.08392 183.5
[M+CH3COO]- 387.09957 180.2
[M+Na-2H]- 349.06039 168.6
[M]+ 328.08517 167.0
[M]- 328.08627 167.0
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.