CID 71711119

1400742-13-3

Structural Information

Molecular Formula
C23H30FN3O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCCCF
InChI
InChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)
InChIKey
UCMFSGVIEPXYIV-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

21
Patents

383.2373 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.24458 189.3
[M+Na]+ 406.22652 198.3
[M+NH4]+ 401.27112 199.9
[M+K]+ 422.20046 189.2
[M-H]- 382.23002 187.6
[M+Na-2H]- 404.21197 186.2
[M]+ 383.23675 190.0
[M]- 383.23785 190.0
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