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
2
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]+ 437.144206 202.3
[M+Na]+ 459.126148 210.6
[M-H]- 435.129654 209.6
[M+NH4]+ 454.170753 208.7
[M+K]+ 475.100088 202.0
[M+H-H2O]+ 419.134190 191.2
[M+HCOO]- 481.135131 214.9
[M+CH3COO]- 495.150781 210.2
[M+Na-2H]- 457.111596 202.3
[M]+ 436.13638142 202.3
[M]- 436.13747858 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.