CID 135416394

Mk-6892

Structural Information

Molecular Formula
C19H22N4O5
SMILES
CC(C)(CC1=NC(=NO1)C2=NC=C(C=C2)O)C(=O)NC3=C(CCCC3)C(=O)O
InChI
InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
InChIKey
CJHXBFSJXDUJHP-UHFFFAOYSA-N
Compound name
2-[[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

386.15903 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16631 189.1
[M+Na]+ 409.14825 197.9
[M+NH4]+ 404.19285 191.8
[M+K]+ 425.12219 198.0
[M-H]- 385.15175 190.8
[M+Na-2H]- 407.13370 193.0
[M]+ 386.15848 190.3
[M]- 386.15958 190.3
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

patents stripe