CID 101895417

5-fluoro-adb, (+/-)-

Structural Information

Molecular Formula
C20H28FN3O3
SMILES
CC(C)(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
InChI
InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)
InChIKey
PWEKNGSNNAKWBL-UHFFFAOYSA-N
Compound name
methyl 2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

9
Patents

377.21146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21874 190.9
[M+Na]+ 400.20068 198.6
[M+NH4]+ 395.24528 194.4
[M+K]+ 416.17462 196.2
[M-H]- 376.20418 188.1
[M+Na-2H]- 398.18613 192.2
[M]+ 377.21091 190.7
[M]- 377.21201 190.7
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