CID 57404063

Apinaca

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)
InChIKey
UCTCCIPCJZKWEZ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-pentylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

37
Patents

365.2467 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.25398 188.8
[M+Na]+ 388.23592 199.0
[M+NH4]+ 383.28052 200.4
[M+K]+ 404.20986 189.5
[M-H]- 364.23942 188.6
[M+Na-2H]- 386.22137 186.3
[M]+ 365.24615 190.3
[M]- 365.24725 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