CID 5166

Sb 239063

Structural Information

Molecular Formula
C20H21FN4O2
SMILES
COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3
InChIKey
ZQUSFAUAYSEREK-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

103
References

1335
Patents

368.16486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.172136 188.7
[M+Na]+ 391.154078 195.9
[M-H]- 367.157584 193.6
[M+NH4]+ 386.198683 195.9
[M+K]+ 407.128018 188.8
[M+H-H2O]+ 351.162120 175.3
[M+HCOO]- 413.163061 202.2
[M+CH3COO]- 427.178711 196.6
[M+Na-2H]- 389.139526 187.4
[M]+ 368.16431142 184.9
[M]- 368.16540858 184.9
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