CID 68277611

Gne-617

Structural Information

Molecular Formula
C21H15F2N3O3S
SMILES
C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F
InChI
InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
InChIKey
XRDVXQQZLHVEQZ-UHFFFAOYSA-N
Compound name
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

55
Patents

427.08023 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08751 197.8
[M+Na]+ 450.06945 208.5
[M-H]- 426.07295 204.6
[M+NH4]+ 445.11405 207.8
[M+K]+ 466.04339 201.0
[M+H-H2O]+ 410.07749 186.9
[M+HCOO]- 472.07843 212.9
[M+CH3COO]- 486.09408 207.3
[M+Na-2H]- 448.05490 200.2
[M]+ 427.07968 200.9
[M]- 427.08078 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe