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]+ 352.077556 159.9
[M+Na]+ 374.059498 172.8
[M-H]- 350.063004 158.2
[M+NH4]+ 369.104103 172.1
[M+K]+ 390.033438 158.9
[M+H-H2O]+ 334.067540 151.4
[M+HCOO]- 396.068481 171.0
[M+CH3COO]- 410.084131 201.9
[M+Na-2H]- 372.044946 164.3
[M]+ 351.06973142 155.6
[M]- 351.07082858 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.