CID 121317454

Odm-204

Structural Information

Molecular Formula
C20H21F3N4
SMILES
CC1(CCC(=C[C@H]1N(C)C2=CC(=C(C=C2)C#N)C(F)(F)F)N3C=CN=C3)C
InChI
InChI=1S/C20H21F3N4/c1-19(2)7-6-16(27-9-8-25-13-27)11-18(19)26(3)15-5-4-14(12-24)17(10-15)20(21,22)23/h4-5,8-11,13,18H,6-7H2,1-3H3/t18-/m1/s1
InChIKey
CIGRGLYYGIMTOD-GOSISDBHSA-N
Compound name
4-[[(1R)-3-imidazol-1-yl-6,6-dimethylcyclohex-2-en-1-yl]-methylamino]-2-(trifluoromethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

701
Patents

374.17184 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17912 186.9
[M+Na]+ 397.16106 196.6
[M+NH4]+ 392.20566 189.7
[M+K]+ 413.13500 186.7
[M-H]- 373.16456 179.7
[M+Na-2H]- 395.14651 190.7
[M]+ 374.17129 185.5
[M]- 374.17239 185.5
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