CID 3008294

N-[2-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide

Structural Information

Molecular Formula
C16H11F3N2O2S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3
InChI
InChI=1S/C16H11F3N2O2S/c17-16(18,19)13-5-1-2-6-14(13)21-24(22,23)15-7-3-4-11-10-20-9-8-12(11)15/h1-10,21H
InChIKey
JMEYKEYOPIOHKK-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.04935 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05663 175.2
[M+Na]+ 375.03857 184.8
[M-H]- 351.04207 177.7
[M+NH4]+ 370.08317 187.8
[M+K]+ 391.01251 178.1
[M+H-H2O]+ 335.04661 164.5
[M+HCOO]- 397.04755 187.7
[M+CH3COO]- 411.06320 210.1
[M+Na-2H]- 373.02402 182.0
[M]+ 352.04880 173.7
[M]- 352.04990 173.7
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.