CID 154699724

Ns00117463

Structural Information

Molecular Formula
C23H21FN4O2S
SMILES
CC(C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(NC(=N3)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H21FN4O2S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(17-8-10-19(24)11-9-17)27-23(28-22)31(2,29)30/h3-15H,1-2H3,(H,25,26)(H,27,28)
InChIKey
JXAHDPSVNVHDEW-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.13693 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14421 202.3
[M+Na]+ 459.12615 210.6
[M-H]- 435.12965 209.6
[M+NH4]+ 454.17075 208.7
[M+K]+ 475.10009 202.0
[M+H-H2O]+ 419.13419 191.2
[M+HCOO]- 481.13513 214.9
[M+CH3COO]- 495.15078 210.2
[M+Na-2H]- 457.11160 202.3
[M]+ 436.13638 202.3
[M]- 436.13748 202.3
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

No patent data available for this compound.