CID 166449378

Iqwfrhxhtnvije-uhfffaoysa-o

Structural Information

Molecular Formula
C13H12F5N4S
SMILES
CC1=CC(=[N+]2C=CNC2=N1)NC3=CC=C(C=C3)S(F)(F)(F)(F)F
InChI
InChI=1S/C13H11F5N4S/c1-9-8-12(22-7-6-19-13(22)20-9)21-10-2-4-11(5-3-10)23(14,15,16,17)18/h2-8H,1H3,(H,19,20,21)/p+1
InChIKey
IQWFRHXHTNVIJE-UHFFFAOYSA-O
Compound name
7-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-1H-imidazo[1,2-a]pyrimidin-4-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07028 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07756 159.9
[M+Na]+ 374.05950 172.8
[M-H]- 350.06300 158.2
[M+NH4]+ 369.10410 172.1
[M+K]+ 390.03344 158.9
[M+H-H2O]+ 334.06754 151.4
[M+HCOO]- 396.06848 171.0
[M+CH3COO]- 410.08413 201.9
[M+Na-2H]- 372.04495 164.3
[M]+ 351.06973 155.6
[M]- 351.07083 155.6
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.